1-acetyl-N-benzyl-5-bromo-N-methyl-2,3-dihydroindole-6-sulfonamide;N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide;1-acetyl-5-bromo-N-ethyl-N-methyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-diethyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-6-sulfonamide;5-bromo-1-prop-1-en-2-yl-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide

C107H121Br4Cl3N16O22S8 — CID 158206232

IUPAC1-acetyl-N-benzyl-5-bromo-N-methyl-2,3-dihydroindole-6-sulfonamide;N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide;1-acetyl-5-bromo-N-ethyl-N-methyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-diethyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-6-sulfonamide;5-bromo-1-prop-1-en-2-yl-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide
SMILESC=C(C)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccccn3)cc21.CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(C)Cc3ccccc3)cc21.CC(=O)N1CCc2cc(Cl)c(S(=O)(=O)NC3CCCCC3)cc21.CC(=O)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O.CCN(C)S(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O.CCN(CC)S(=O)(=O)c1cc2c(cc1Cl)CCN2C(C)=O.COc1ccc2nc(NS(=O)(=O)c3cc4c(cc3Cl)CCN4C(C)=O)sc2c1
InChIInChI=1S/C18H19BrN2O3S.C18H16ClN3O4S2.C16H16BrN3O2S.C16H21ClN2O3S.C14H19ClN2O3S.C13H17BrN2O3S.C12H13BrN2O4S/c1-13(22)21-9-8-15-10-16(19)18(11-17(15)21)25(23,24)20(2)12-14-6-4-3-5-7-14;1-10(23)22-6-5-11-7-13(19)17(9-15(11)22)28(24,25)21-18-20-14-4-3-12(26-2)8-16(14)27-18;1-11(2)20-8-6-12-9-13(17)15(10-14(12)20)23(21,22)19-16-5-3-4-7-18-16;1-11(20)19-8-7-12-9-14(17)16(10-15(12)19)23(21,22)18-13-5-3-2-4-6-13;1-4-16(5-2)21(19,20)14-9-13-11(8-12(14)15)6-7-17(13)10(3)18;1-4-15(3)20(18,19)13-8-12-10(7-11(13)14)5-6-16(12)9(2)17;1-7(16)14-20(18,19)12-6-11-9(5-10(12)13)3-4-15(11)8(2)17/h3-7,10-11H,8-9,12H2,1-2H3;3-4,7-9H,5-6H2,1-2H3,(H,20,21);3-5,7,9-10H,1,6,8H2,2H3,(H,18,19);9-10,13,18H,2-8H2,1H3;8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3,(H,14,16)
InChIKeyGBNJAIQIZMBQJJ-UHFFFAOYSA-N
MW2665.75 g/mol
LogP18.71
Rot. Bonds24

About 1-acetyl-N-benzyl-5-bromo-N-methyl-2,3-dihydroindole-6-sulfonamide;N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide;1-acetyl-5-bromo-N-ethyl-N-methyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-diethyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-6-sulfonamide;5-bromo-1-prop-1-en-2-yl-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide

1-acetyl-N-benzyl-5-bromo-N-methyl-2,3-dihydroindole-6-sulfonamide;N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide;1-acetyl-5-bromo-N-ethyl-N-methyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-diethyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-6-sulfonamide;5-bromo-1-prop-1-en-2-yl-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide (PubChem CID 158206232) has the molecular formula C107H121Br4Cl3N16O22S8 and a molecular weight of 2665.75 g/mol. Its IUPAC name is 1-acetyl-N-benzyl-5-bromo-N-methyl-2,3-dihydroindole-6-sulfonamide;N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide;1-acetyl-5-bromo-N-ethyl-N-methyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-diethyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-6-sulfonamide;5-bromo-1-prop-1-en-2-yl-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-benzyl-5-bromo-N-methyl-2,3-dihydroindole-6-sulfonamide;N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide;1-acetyl-5-bromo-N-ethyl-N-methyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-diethyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-6-sulfonamide;5-bromo-1-prop-1-en-2-yl-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide
PubChem CID158206232
Molecular FormulaC107H121Br4Cl3N16O22S8
Molecular Weight2665.75 g/mol
Exact Mass2658.24
IUPAC Name1-acetyl-N-benzyl-5-bromo-N-methyl-2,3-dihydroindole-6-sulfonamide;N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide;1-acetyl-5-bromo-N-ethyl-N-methyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-diethyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-6-sulfonamide;5-bromo-1-prop-1-en-2-yl-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide
SMILESC=C(C)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccccn3)cc21.CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(C)Cc3ccccc3)cc21.CC(=O)N1CCc2cc(Cl)c(S(=O)(=O)NC3CCCCC3)cc21.CC(=O)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O.CCN(C)S(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O.CCN(CC)S(=O)(=O)c1cc2c(cc1Cl)CCN2C(C)=O.COc1ccc2nc(NS(=O)(=O)c3cc4c(cc3Cl)CCN4C(C)=O)sc2c1
InChIInChI=1S/C18H19BrN2O3S.C18H16ClN3O4S2.C16H16BrN3O2S.C16H21ClN2O3S.C14H19ClN2O3S.C13H17BrN2O3S.C12H13BrN2O4S/c1-13(22)21-9-8-15-10-16(19)18(11-17(15)21)25(23,24)20(2)12-14-6-4-3-5-7-14;1-10(23)22-6-5-11-7-13(19)17(9-15(11)22)28(24,25)21-18-20-14-4-3-12(26-2)8-16(14)27-18;1-11(2)20-8-6-12-9-13(17)15(10-14(12)20)23(21,22)19-16-5-3-4-7-18-16;1-11(20)19-8-7-12-9-14(17)16(10-15(12)19)23(21,22)18-13-5-3-2-4-6-13;1-4-16(5-2)21(19,20)14-9-13-11(8-12(14)15)6-7-17(13)10(3)18;1-4-15(3)20(18,19)13-8-12-10(7-11(13)14)5-6-16(12)9(2)17;1-7(16)14-20(18,19)12-6-11-9(5-10(12)13)3-4-15(11)8(2)17/h3-7,10-11H,8-9,12H2,1-2H3;3-4,7-9H,5-6H2,1-2H3,(H,20,21);3-5,7,9-10H,1,6,8H2,2H3,(H,18,19);9-10,13,18H,2-8H2,1H3;8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3,(H,14,16)
InChIKeyGBNJAIQIZMBQJJ-UHFFFAOYSA-N
XLogP18.71
TPSA474.00 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002665.75
LogP ≤ 518.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 1-acetyl-N-benzyl-5-bromo-N-methyl-2,3-dihydroindole-6-sulfonamide;N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide;1-acetyl-5-bromo-N-ethyl-N-methyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-diethyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-6-sulfonamide;5-bromo-1-prop-1-en-2-yl-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-benzyl-5-bromo-N-methyl-2,3-dihydroindole-6-sulfonamide;N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide;1-acetyl-5-bromo-N-ethyl-N-methyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-diethyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-6-sulfonamide;5-bromo-1-prop-1-en-2-yl-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-acetyl-N-benzyl-5-bromo-N-methyl-2,3-dihydroindole-6-sulfonamide;N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide;1-acetyl-5-bromo-N-ethyl-N-methyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-diethyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-6-sulfonamide;5-bromo-1-prop-1-en-2-yl-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide (CID 158206232) is 1-acetyl-N-benzyl-5-bromo-N-methyl-2,3-dihydroindole-6-sulfonamide;N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide;1-acetyl-5-bromo-N-ethyl-N-methyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-diethyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-6-sulfonamide;5-bromo-1-prop-1-en-2-yl-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-benzyl-5-bromo-N-methyl-2,3-dihydroindole-6-sulfonamide;N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide;1-acetyl-5-bromo-N-ethyl-N-methyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-diethyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-6-sulfonamide;5-bromo-1-prop-1-en-2-yl-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-benzyl-5-bromo-N-methyl-2,3-dihydroindole-6-sulfonamide;N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide;1-acetyl-5-bromo-N-ethyl-N-methyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-diethyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-6-sulfonamide;5-bromo-1-prop-1-en-2-yl-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide is C=C(C)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccccn3)cc21.CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(C)Cc3ccccc3)cc21.CC(=O)N1CCc2cc(Cl)c(S(=O)(=O)NC3CCCCC3)cc21.CC(=O)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O.CCN(C)S(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O.CCN(CC)S(=O)(=O)c1cc2c(cc1Cl)CCN2C(C)=O.COc1ccc2nc(NS(=O)(=O)c3cc4c(cc3Cl)CCN4C(C)=O)sc2c1.
What is the InChIKey of 1-acetyl-N-benzyl-5-bromo-N-methyl-2,3-dihydroindole-6-sulfonamide;N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide;1-acetyl-5-bromo-N-ethyl-N-methyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-diethyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-6-sulfonamide;5-bromo-1-prop-1-en-2-yl-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is GBNJAIQIZMBQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3S.C18H16ClN3O4S2.C16H16BrN3O2S.C16H21ClN2O3S.C14H19ClN2O3S.C13H17BrN2O3S.C12H13BrN2O4S/c1-13(22)21-9-8-15-10-16(19)18(11-17(15)21)25(23,24)20(2)12-14-6-4-3-5-7-14;1-10(23)22-6-5-11-7-13(19)17(9-15(11)22)28(24,25)21-18-20-14-4-3-12(26-2)8-16(14)27-18;1-11(2)20-8-6-12-9-13(17)15(10-14(12)20)23(21,22)19-16-5-3-4-7-18-16;1-11(20)19-8-7-12-9-14(17)16(10-15(12)19)23(21,22)18-13-5-3-2-4-6-13;1-4-16(5-2)21(19,20)14-9-13-11(8-12(14)15)6-7-17(13)10(3)18;1-4-15(3)20(18,19)13-8-12-10(7-11(13)14)5-6-16(12)9(2)17;1-7(16)14-20(18,19)12-6-11-9(5-10(12)13)3-4-15(11)8(2)17/h3-7,10-11H,8-9,12H2,1-2H3;3-4,7-9H,5-6H2,1-2H3,(H,20,21);3-5,7,9-10H,1,6,8H2,2H3,(H,18,19);9-10,13,18H,2-8H2,1H3;8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 1-acetyl-N-benzyl-5-bromo-N-methyl-2,3-dihydroindole-6-sulfonamide;N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide;1-acetyl-5-bromo-N-ethyl-N-methyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-diethyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-6-sulfonamide;5-bromo-1-prop-1-en-2-yl-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide?
1-acetyl-N-benzyl-5-bromo-N-methyl-2,3-dihydroindole-6-sulfonamide;N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide;1-acetyl-5-bromo-N-ethyl-N-methyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-diethyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-6-sulfonamide;5-bromo-1-prop-1-en-2-yl-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 2665.75 g/mol, XLogP of 18.71, 24 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-benzyl-5-bromo-N-methyl-2,3-dihydroindole-6-sulfonamide;N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide;1-acetyl-5-bromo-N-ethyl-N-methyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-diethyl-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-6-sulfonamide;5-bromo-1-prop-1-en-2-yl-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 158206232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).