4-tert-butylbenzenesulfonyl chloride;3-[[3-[(4-tert-butylphenyl)sulfonylamino]-2-carboxy-6-chlorobenzoyl]amino]pyridine-2-carboxylic acid;3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylic acid;carbanide;4-chloro-7-nitro-2-benzofuran-1,3-dione;diiodomethane;ethane;ethyl 3-(4-amino-7-chloro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;ethyl 3-aminopyridine-2-carboxylate;ethyl 3-[4-[bis[(4-tert-butylphenyl)sulfonyl]amino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-(4-chloro-7-nitro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;iodoform;iodomethane;methane;pentakis(vanadium)

C177H172Cl8I7N21O46S6V5-4 — CID 162148575

IUPAC4-tert-butylbenzenesulfonyl chloride;3-[[3-[(4-tert-butylphenyl)sulfonylamino]-2-carboxy-6-chlorobenzoyl]amino]pyridine-2-carboxylic acid;3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylic acid;carbanide;4-chloro-7-nitro-2-benzofuran-1,3-dione;diiodomethane;ethane;ethyl 3-(4-amino-7-chloro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;ethyl 3-aminopyridine-2-carboxylate;ethyl 3-[4-[bis[(4-tert-butylphenyl)sulfonyl]amino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-(4-chloro-7-nitro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;iodoform;iodomethane;methane;pentakis(vanadium)
SMILESC.C.CC(C)(C)c1ccc(S(=O)(=O)Cl)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3C(=O)O)c2C(=O)O)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(c2cccnc2C(=O)O)C3=O)cc1.CCOC(=O)c1ncccc1N.CCOC(=O)c1ncccc1N1C(=O)c2c(Cl)ccc(N(S(=O)(=O)c3ccc(C(C)(C)C)cc3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O.CCOC(=O)c1ncccc1N1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O.CCOC(=O)c1ncccc1N1C(=O)c2c(Cl)ccc([N+](=O)[O-])c2C1=O.CCOC(=O)c1ncccc1N1C(=O)c2c(N)ccc(Cl)c2C1=O.IC(I)I.ICI.O=C1OC(=O)c2c([N+](=O)[O-])ccc(Cl)c21.[CH2-]C.[CH2-]I.[CH2-]I.[CH3-].[V].[V].[V].[V].[V]
InChIInChI=1S/C36H36ClN3O8S2.C26H24ClN3O6S.C24H22ClN3O7S.C24H20ClN3O6S.C16H10ClN3O6.C16H12ClN3O4.C10H13ClO2S.C8H2ClNO5.C8H10N2O2.C2H5.CHI3.CH2I2.2CH2I.2CH4.CH3.5V/c1-8-48-34(43)31-28(10-9-21-38-31)39-32(41)29-26(37)19-20-27(30(29)33(39)42)40(49(44,45)24-15-11-22(12-16-24)35(2,3)4)50(46,47)25-17-13-23(14-18-25)36(5,6)7;1-5-36-25(33)22-19(7-6-14-28-22)30-23(31)20-17(27)12-13-18(21(20)24(30)32)29-37(34,35)16-10-8-15(9-11-16)26(2,3)4;1-24(2,3)13-6-8-14(9-7-13)36(34,35)28-16-11-10-15(25)18(19(16)22(30)31)21(29)27-17-5-4-12-26-20(17)23(32)33;1-24(2,3)13-6-8-14(9-7-13)35(33,34)27-16-11-10-15(25)18-19(16)22(30)28(21(18)29)17-5-4-12-26-20(17)23(31)32;1-2-26-16(23)13-10(4-3-7-18-13)19-14(21)11-8(17)5-6-9(20(24)25)12(11)15(19)22;1-2-24-16(23)13-10(4-3-7-19-13)20-14(21)11-8(17)5-6-9(18)12(11)15(20)22;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;9-3-1-2-4(10(13)14)6-5(3)7(11)15-8(6)12;1-2-12-8(11)7-6(9)4-3-5-10-7;1-2;2-1(3)4;2-1-3;2*1-2;;;;;;;;/h9-21H,8H2,1-7H3;6-14,29H,5H2,1-4H3;4-12,28H,1-3H3,(H,27,29)(H,30,31)(H,32,33);4-12,27H,1-3H3,(H,31,32);3-7H,2H2,1H3;3-7H,2,18H2,1H3;4-7H,1-3H3;1-2H;3-5H,2,9H2,1H3;1H2,2H3;1H;1H2;2*1H2;2*1H4;1H3;;;;;/q;;;;;;;;;-1;;;2*-1;;;-1;;;;;
InChIKeyGHNPEWZJQUNZSG-UHFFFAOYSA-N
MW4948.50 g/mol
LogP40.11
Rot. Bonds37

About 4-tert-butylbenzenesulfonyl chloride;3-[[3-[(4-tert-butylphenyl)sulfonylamino]-2-carboxy-6-chlorobenzoyl]amino]pyridine-2-carboxylic acid;3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylic acid;carbanide;4-chloro-7-nitro-2-benzofuran-1,3-dione;diiodomethane;ethane;ethyl 3-(4-amino-7-chloro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;ethyl 3-aminopyridine-2-carboxylate;ethyl 3-[4-[bis[(4-tert-butylphenyl)sulfonyl]amino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-(4-chloro-7-nitro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;iodoform;iodomethane;methane;pentakis(vanadium)

4-tert-butylbenzenesulfonyl chloride;3-[[3-[(4-tert-butylphenyl)sulfonylamino]-2-carboxy-6-chlorobenzoyl]amino]pyridine-2-carboxylic acid;3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylic acid;carbanide;4-chloro-7-nitro-2-benzofuran-1,3-dione;diiodomethane;ethane;ethyl 3-(4-amino-7-chloro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;ethyl 3-aminopyridine-2-carboxylate;ethyl 3-[4-[bis[(4-tert-butylphenyl)sulfonyl]amino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-(4-chloro-7-nitro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;iodoform;iodomethane;methane;pentakis(vanadium) (PubChem CID 162148575) has the molecular formula C177H172Cl8I7N21O46S6V5-4 and a molecular weight of 4948.50 g/mol. Its IUPAC name is 4-tert-butylbenzenesulfonyl chloride;3-[[3-[(4-tert-butylphenyl)sulfonylamino]-2-carboxy-6-chlorobenzoyl]amino]pyridine-2-carboxylic acid;3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylic acid;carbanide;4-chloro-7-nitro-2-benzofuran-1,3-dione;diiodomethane;ethane;ethyl 3-(4-amino-7-chloro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;ethyl 3-aminopyridine-2-carboxylate;ethyl 3-[4-[bis[(4-tert-butylphenyl)sulfonyl]amino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-(4-chloro-7-nitro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;iodoform;iodomethane;methane;pentakis(vanadium).

Molecular Properties

Compound Name4-tert-butylbenzenesulfonyl chloride;3-[[3-[(4-tert-butylphenyl)sulfonylamino]-2-carboxy-6-chlorobenzoyl]amino]pyridine-2-carboxylic acid;3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylic acid;carbanide;4-chloro-7-nitro-2-benzofuran-1,3-dione;diiodomethane;ethane;ethyl 3-(4-amino-7-chloro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;ethyl 3-aminopyridine-2-carboxylate;ethyl 3-[4-[bis[(4-tert-butylphenyl)sulfonyl]amino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-(4-chloro-7-nitro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;iodoform;iodomethane;methane;pentakis(vanadium)
PubChem CID162148575
Molecular FormulaC177H172Cl8I7N21O46S6V5-4
Molecular Weight4948.50 g/mol
Exact Mass4941.81
IUPAC Name4-tert-butylbenzenesulfonyl chloride;3-[[3-[(4-tert-butylphenyl)sulfonylamino]-2-carboxy-6-chlorobenzoyl]amino]pyridine-2-carboxylic acid;3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylic acid;carbanide;4-chloro-7-nitro-2-benzofuran-1,3-dione;diiodomethane;ethane;ethyl 3-(4-amino-7-chloro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;ethyl 3-aminopyridine-2-carboxylate;ethyl 3-[4-[bis[(4-tert-butylphenyl)sulfonyl]amino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-(4-chloro-7-nitro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;iodoform;iodomethane;methane;pentakis(vanadium)
SMILESC.C.CC(C)(C)c1ccc(S(=O)(=O)Cl)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3C(=O)O)c2C(=O)O)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(c2cccnc2C(=O)O)C3=O)cc1.CCOC(=O)c1ncccc1N.CCOC(=O)c1ncccc1N1C(=O)c2c(Cl)ccc(N(S(=O)(=O)c3ccc(C(C)(C)C)cc3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O.CCOC(=O)c1ncccc1N1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O.CCOC(=O)c1ncccc1N1C(=O)c2c(Cl)ccc([N+](=O)[O-])c2C1=O.CCOC(=O)c1ncccc1N1C(=O)c2c(N)ccc(Cl)c2C1=O.IC(I)I.ICI.O=C1OC(=O)c2c([N+](=O)[O-])ccc(Cl)c21.[CH2-]C.[CH2-]I.[CH2-]I.[CH3-].[V].[V].[V].[V].[V]
InChIInChI=1S/C36H36ClN3O8S2.C26H24ClN3O6S.C24H22ClN3O7S.C24H20ClN3O6S.C16H10ClN3O6.C16H12ClN3O4.C10H13ClO2S.C8H2ClNO5.C8H10N2O2.C2H5.CHI3.CH2I2.2CH2I.2CH4.CH3.5V/c1-8-48-34(43)31-28(10-9-21-38-31)39-32(41)29-26(37)19-20-27(30(29)33(39)42)40(49(44,45)24-15-11-22(12-16-24)35(2,3)4)50(46,47)25-17-13-23(14-18-25)36(5,6)7;1-5-36-25(33)22-19(7-6-14-28-22)30-23(31)20-17(27)12-13-18(21(20)24(30)32)29-37(34,35)16-10-8-15(9-11-16)26(2,3)4;1-24(2,3)13-6-8-14(9-7-13)36(34,35)28-16-11-10-15(25)18(19(16)22(30)31)21(29)27-17-5-4-12-26-20(17)23(32)33;1-24(2,3)13-6-8-14(9-7-13)35(33,34)27-16-11-10-15(25)18-19(16)22(30)28(21(18)29)17-5-4-12-26-20(17)23(31)32;1-2-26-16(23)13-10(4-3-7-18-13)19-14(21)11-8(17)5-6-9(20(24)25)12(11)15(19)22;1-2-24-16(23)13-10(4-3-7-19-13)20-14(21)11-8(17)5-6-9(18)12(11)15(20)22;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;9-3-1-2-4(10(13)14)6-5(3)7(11)15-8(6)12;1-2-12-8(11)7-6(9)4-3-5-10-7;1-2;2-1(3)4;2-1-3;2*1-2;;;;;;;;/h9-21H,8H2,1-7H3;6-14,29H,5H2,1-4H3;4-12,28H,1-3H3,(H,27,29)(H,30,31)(H,32,33);4-12,27H,1-3H3,(H,31,32);3-7H,2H2,1H3;3-7H,2,18H2,1H3;4-7H,1-3H3;1-2H;3-5H,2,9H2,1H3;1H2,2H3;1H;1H2;2*1H2;2*1H4;1H3;;;;;/q;;;;;;;;;-1;;;2*-1;;;-1;;;;;
InChIKeyGHNPEWZJQUNZSG-UHFFFAOYSA-N
XLogP40.11
TPSA975.49 Ų
H-Bond Donors9
H-Bond Acceptors52
Rotatable Bonds37
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004948.50
LogP ≤ 540.11
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1052

Analyze 4-tert-butylbenzenesulfonyl chloride;3-[[3-[(4-tert-butylphenyl)sulfonylamino]-2-carboxy-6-chlorobenzoyl]amino]pyridine-2-carboxylic acid;3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylic acid;carbanide;4-chloro-7-nitro-2-benzofuran-1,3-dione;diiodomethane;ethane;ethyl 3-(4-amino-7-chloro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;ethyl 3-aminopyridine-2-carboxylate;ethyl 3-[4-[bis[(4-tert-butylphenyl)sulfonyl]amino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-(4-chloro-7-nitro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;iodoform;iodomethane;methane;pentakis(vanadium) with MolForge

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Launch Full Analysis

Related Compounds

4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium
CID 161443906
4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxylic acid;methyl 3-aminopyridine-2-carboxylate
CID 158900667
4-tert-butyl-N-[7-chloro-2-(5-methoxy-6-methyl-2-pyridinyl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 118204670
4-tert-butyl-N-[7-chloro-2-(6-ethoxy-1-oxidopyridin-1-ium-2-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 118204763
4-tert-butyl-N-[7-chloro-2-(2-cyano-5-methyl-3-pyridinyl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 118205008
4-tert-butyl-N-[7-chloro-1,3-dioxo-2-(pyridin-2-ylmethyl)isoindol-4-yl]benzenesulfonamide
CID 118204692
[5-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]-4-methyl-3-pyridinyl] methanesulfonate
CID 137447547
4-amino-7-chloro-2-(2-methyl-3-pyridinyl)isoindole-1,3-dione
CID 118197472
4-tert-butyl-N-[7-chloro-2-(5-ethyl-3-pyridinyl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 137447672
4-tert-butyl-N-[7-chloro-2-[(4-methyl-3-pyridinyl)methyl]-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 118204615
4-tert-butyl-N-[7-chloro-2-(5-methoxy-4-methyl-2-pyridinyl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 118204624
4-tert-butyl-N-[7-chloro-2-[(1-hydroxy-6-methylpyridin-1-ium-3-yl)methyl]-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 134501935

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylbenzenesulfonyl chloride;3-[[3-[(4-tert-butylphenyl)sulfonylamino]-2-carboxy-6-chlorobenzoyl]amino]pyridine-2-carboxylic acid;3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylic acid;carbanide;4-chloro-7-nitro-2-benzofuran-1,3-dione;diiodomethane;ethane;ethyl 3-(4-amino-7-chloro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;ethyl 3-aminopyridine-2-carboxylate;ethyl 3-[4-[bis[(4-tert-butylphenyl)sulfonyl]amino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-(4-chloro-7-nitro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;iodoform;iodomethane;methane;pentakis(vanadium)?
The IUPAC name of 4-tert-butylbenzenesulfonyl chloride;3-[[3-[(4-tert-butylphenyl)sulfonylamino]-2-carboxy-6-chlorobenzoyl]amino]pyridine-2-carboxylic acid;3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylic acid;carbanide;4-chloro-7-nitro-2-benzofuran-1,3-dione;diiodomethane;ethane;ethyl 3-(4-amino-7-chloro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;ethyl 3-aminopyridine-2-carboxylate;ethyl 3-[4-[bis[(4-tert-butylphenyl)sulfonyl]amino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-(4-chloro-7-nitro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;iodoform;iodomethane;methane;pentakis(vanadium) (CID 162148575) is 4-tert-butylbenzenesulfonyl chloride;3-[[3-[(4-tert-butylphenyl)sulfonylamino]-2-carboxy-6-chlorobenzoyl]amino]pyridine-2-carboxylic acid;3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylic acid;carbanide;4-chloro-7-nitro-2-benzofuran-1,3-dione;diiodomethane;ethane;ethyl 3-(4-amino-7-chloro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;ethyl 3-aminopyridine-2-carboxylate;ethyl 3-[4-[bis[(4-tert-butylphenyl)sulfonyl]amino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-(4-chloro-7-nitro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;iodoform;iodomethane;methane;pentakis(vanadium).
What is the SMILES notation for 4-tert-butylbenzenesulfonyl chloride;3-[[3-[(4-tert-butylphenyl)sulfonylamino]-2-carboxy-6-chlorobenzoyl]amino]pyridine-2-carboxylic acid;3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylic acid;carbanide;4-chloro-7-nitro-2-benzofuran-1,3-dione;diiodomethane;ethane;ethyl 3-(4-amino-7-chloro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;ethyl 3-aminopyridine-2-carboxylate;ethyl 3-[4-[bis[(4-tert-butylphenyl)sulfonyl]amino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-(4-chloro-7-nitro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;iodoform;iodomethane;methane;pentakis(vanadium)?
The canonical SMILES for 4-tert-butylbenzenesulfonyl chloride;3-[[3-[(4-tert-butylphenyl)sulfonylamino]-2-carboxy-6-chlorobenzoyl]amino]pyridine-2-carboxylic acid;3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylic acid;carbanide;4-chloro-7-nitro-2-benzofuran-1,3-dione;diiodomethane;ethane;ethyl 3-(4-amino-7-chloro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;ethyl 3-aminopyridine-2-carboxylate;ethyl 3-[4-[bis[(4-tert-butylphenyl)sulfonyl]amino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-(4-chloro-7-nitro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;iodoform;iodomethane;methane;pentakis(vanadium) is C.C.CC(C)(C)c1ccc(S(=O)(=O)Cl)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3C(=O)O)c2C(=O)O)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(c2cccnc2C(=O)O)C3=O)cc1.CCOC(=O)c1ncccc1N.CCOC(=O)c1ncccc1N1C(=O)c2c(Cl)ccc(N(S(=O)(=O)c3ccc(C(C)(C)C)cc3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O.CCOC(=O)c1ncccc1N1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O.CCOC(=O)c1ncccc1N1C(=O)c2c(Cl)ccc([N+](=O)[O-])c2C1=O.CCOC(=O)c1ncccc1N1C(=O)c2c(N)ccc(Cl)c2C1=O.IC(I)I.ICI.O=C1OC(=O)c2c([N+](=O)[O-])ccc(Cl)c21.[CH2-]C.[CH2-]I.[CH2-]I.[CH3-].[V].[V].[V].[V].[V].
What is the InChIKey of 4-tert-butylbenzenesulfonyl chloride;3-[[3-[(4-tert-butylphenyl)sulfonylamino]-2-carboxy-6-chlorobenzoyl]amino]pyridine-2-carboxylic acid;3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylic acid;carbanide;4-chloro-7-nitro-2-benzofuran-1,3-dione;diiodomethane;ethane;ethyl 3-(4-amino-7-chloro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;ethyl 3-aminopyridine-2-carboxylate;ethyl 3-[4-[bis[(4-tert-butylphenyl)sulfonyl]amino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-(4-chloro-7-nitro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;iodoform;iodomethane;methane;pentakis(vanadium)?
The InChIKey is GHNPEWZJQUNZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36ClN3O8S2.C26H24ClN3O6S.C24H22ClN3O7S.C24H20ClN3O6S.C16H10ClN3O6.C16H12ClN3O4.C10H13ClO2S.C8H2ClNO5.C8H10N2O2.C2H5.CHI3.CH2I2.2CH2I.2CH4.CH3.5V/c1-8-48-34(43)31-28(10-9-21-38-31)39-32(41)29-26(37)19-20-27(30(29)33(39)42)40(49(44,45)24-15-11-22(12-16-24)35(2,3)4)50(46,47)25-17-13-23(14-18-25)36(5,6)7;1-5-36-25(33)22-19(7-6-14-28-22)30-23(31)20-17(27)12-13-18(21(20)24(30)32)29-37(34,35)16-10-8-15(9-11-16)26(2,3)4;1-24(2,3)13-6-8-14(9-7-13)36(34,35)28-16-11-10-15(25)18(19(16)22(30)31)21(29)27-17-5-4-12-26-20(17)23(32)33;1-24(2,3)13-6-8-14(9-7-13)35(33,34)27-16-11-10-15(25)18-19(16)22(30)28(21(18)29)17-5-4-12-26-20(17)23(31)32;1-2-26-16(23)13-10(4-3-7-18-13)19-14(21)11-8(17)5-6-9(20(24)25)12(11)15(19)22;1-2-24-16(23)13-10(4-3-7-19-13)20-14(21)11-8(17)5-6-9(18)12(11)15(20)22;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;9-3-1-2-4(10(13)14)6-5(3)7(11)15-8(6)12;1-2-12-8(11)7-6(9)4-3-5-10-7;1-2;2-1(3)4;2-1-3;2*1-2;;;;;;;;/h9-21H,8H2,1-7H3;6-14,29H,5H2,1-4H3;4-12,28H,1-3H3,(H,27,29)(H,30,31)(H,32,33);4-12,27H,1-3H3,(H,31,32);3-7H,2H2,1H3;3-7H,2,18H2,1H3;4-7H,1-3H3;1-2H;3-5H,2,9H2,1H3;1H2,2H3;1H;1H2;2*1H2;2*1H4;1H3;;;;;/q;;;;;;;;;-1;;;2*-1;;;-1;;;;;.
What are the key properties of 4-tert-butylbenzenesulfonyl chloride;3-[[3-[(4-tert-butylphenyl)sulfonylamino]-2-carboxy-6-chlorobenzoyl]amino]pyridine-2-carboxylic acid;3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylic acid;carbanide;4-chloro-7-nitro-2-benzofuran-1,3-dione;diiodomethane;ethane;ethyl 3-(4-amino-7-chloro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;ethyl 3-aminopyridine-2-carboxylate;ethyl 3-[4-[bis[(4-tert-butylphenyl)sulfonyl]amino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-(4-chloro-7-nitro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;iodoform;iodomethane;methane;pentakis(vanadium)?
4-tert-butylbenzenesulfonyl chloride;3-[[3-[(4-tert-butylphenyl)sulfonylamino]-2-carboxy-6-chlorobenzoyl]amino]pyridine-2-carboxylic acid;3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylic acid;carbanide;4-chloro-7-nitro-2-benzofuran-1,3-dione;diiodomethane;ethane;ethyl 3-(4-amino-7-chloro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;ethyl 3-aminopyridine-2-carboxylate;ethyl 3-[4-[bis[(4-tert-butylphenyl)sulfonyl]amino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-(4-chloro-7-nitro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;iodoform;iodomethane;methane;pentakis(vanadium) has a molecular weight of 4948.50 g/mol, XLogP of 40.11, 37 rotatable bonds, 9 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylbenzenesulfonyl chloride;3-[[3-[(4-tert-butylphenyl)sulfonylamino]-2-carboxy-6-chlorobenzoyl]amino]pyridine-2-carboxylic acid;3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylic acid;carbanide;4-chloro-7-nitro-2-benzofuran-1,3-dione;diiodomethane;ethane;ethyl 3-(4-amino-7-chloro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;ethyl 3-aminopyridine-2-carboxylate;ethyl 3-[4-[bis[(4-tert-butylphenyl)sulfonyl]amino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]pyridine-2-carboxylate;ethyl 3-(4-chloro-7-nitro-1,3-dioxoisoindol-2-yl)pyridine-2-carboxylate;iodoform;iodomethane;methane;pentakis(vanadium) is sourced from PubChem (CID 162148575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).