2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-diazoethanesulfonamide;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-diazoethanesulfonamide;2-(4-benzylpiperidin-1-yl)-N-diazoethanesulfonamide;4-chloro-N-diazobenzenesulfonamide;N-diazo-2-(dibenzylamino)ethanesulfonamide;N-diazo-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonamide;N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;N-diazo-4-methoxybenzenesulfonamide;N-diazo-4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide;N-diazo-2-methylbenzenesulfonamide

C121H145ClN38O24S11 — CID 158154871

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-diazoethanesulfonamide;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-diazoethanesulfonamide;2-(4-benzylpiperidin-1-yl)-N-diazoethanesulfonamide;4-chloro-N-diazobenzenesulfonamide;N-diazo-2-(dibenzylamino)ethanesulfonamide;N-diazo-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonamide;N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;N-diazo-4-methoxybenzenesulfonamide;N-diazo-4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide;N-diazo-2-methylbenzenesulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)N=[N+]=[N-])cccc12.COc1ccc(S(=O)(=O)N=[N+]=[N-])cc1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(S(=O)(=O)N=[N+]=[N-])cc2)c1.Cc1ccccc1S(=O)(=O)N=[N+]=[N-].[N-]=[N+]=NS(=O)(=O)CCN(Cc1ccccc1)Cc1ccccc1.[N-]=[N+]=NS(=O)(=O)CCN1CCC(Cc2ccccc2)CC1.[N-]=[N+]=NS(=O)(=O)CCN1CCCC2CCCCC21.[N-]=[N+]=NS(=O)(=O)CCN1CCN(Cc2ccc3c(c2)OCO3)CC1.[N-]=[N+]=NS(=O)(=O)CCN1CCc2ccccc2C1.[N-]=[N+]=NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H24N4O3S2.C16H18N4O2S.C14H19N5O4S.C14H20N4O2S.C12H12N4O2S.C11H20N4O2S.C11H14N4O2S.C7H7N3O3S.C7H7N3O2S.C6H4ClN3O2S/c1-30-21-7-5-6-20(16-21)18-27(14-15-31-22-8-3-2-4-9-22)17-19-10-12-23(13-11-19)32(28,29)26-25-24;17-18-19-23(21,22)12-11-20(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;15-16-17-24(20,21)8-7-18-3-5-19(6-4-18)10-12-1-2-13-14(9-12)23-11-22-13;15-16-17-21(19,20)11-10-18-8-6-14(7-9-18)12-13-4-2-1-3-5-13;1-16(2)11-7-3-6-10-9(11)5-4-8-12(10)19(17,18)15-14-13;12-13-14-18(16,17)9-8-15-7-3-5-10-4-1-2-6-11(10)15;12-13-14-18(16,17)8-7-15-6-5-10-3-1-2-4-11(10)9-15;1-13-6-2-4-7(5-3-6)14(11,12)10-9-8;1-6-4-2-3-5-7(6)13(11,12)10-9-8;7-5-1-3-6(4-2-5)13(11,12)10-9-8/h2-13,16H,14-15,17-18H2,1H3;1-10H,11-14H2;1-2,9H,3-8,10-11H2;1-5,14H,6-12H2;3-8H,1-2H3;10-11H,1-9H2;1-4H,5-9H2;2-5H,1H3;2-5H,1H3;1-4H
InChIKeyFVOBXJQCPXEXPJ-UHFFFAOYSA-N
MW2903.92 g/mol
LogP25.47
Rot. Bonds49

About 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-diazoethanesulfonamide;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-diazoethanesulfonamide;2-(4-benzylpiperidin-1-yl)-N-diazoethanesulfonamide;4-chloro-N-diazobenzenesulfonamide;N-diazo-2-(dibenzylamino)ethanesulfonamide;N-diazo-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonamide;N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;N-diazo-4-methoxybenzenesulfonamide;N-diazo-4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide;N-diazo-2-methylbenzenesulfonamide

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-diazoethanesulfonamide;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-diazoethanesulfonamide;2-(4-benzylpiperidin-1-yl)-N-diazoethanesulfonamide;4-chloro-N-diazobenzenesulfonamide;N-diazo-2-(dibenzylamino)ethanesulfonamide;N-diazo-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonamide;N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;N-diazo-4-methoxybenzenesulfonamide;N-diazo-4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide;N-diazo-2-methylbenzenesulfonamide (PubChem CID 158154871) has the molecular formula C121H145ClN38O24S11 and a molecular weight of 2903.92 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-diazoethanesulfonamide;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-diazoethanesulfonamide;2-(4-benzylpiperidin-1-yl)-N-diazoethanesulfonamide;4-chloro-N-diazobenzenesulfonamide;N-diazo-2-(dibenzylamino)ethanesulfonamide;N-diazo-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonamide;N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;N-diazo-4-methoxybenzenesulfonamide;N-diazo-4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide;N-diazo-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-diazoethanesulfonamide;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-diazoethanesulfonamide;2-(4-benzylpiperidin-1-yl)-N-diazoethanesulfonamide;4-chloro-N-diazobenzenesulfonamide;N-diazo-2-(dibenzylamino)ethanesulfonamide;N-diazo-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonamide;N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;N-diazo-4-methoxybenzenesulfonamide;N-diazo-4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide;N-diazo-2-methylbenzenesulfonamide
PubChem CID158154871
Molecular FormulaC121H145ClN38O24S11
Molecular Weight2903.92 g/mol
Exact Mass2900.79
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-diazoethanesulfonamide;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-diazoethanesulfonamide;2-(4-benzylpiperidin-1-yl)-N-diazoethanesulfonamide;4-chloro-N-diazobenzenesulfonamide;N-diazo-2-(dibenzylamino)ethanesulfonamide;N-diazo-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonamide;N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;N-diazo-4-methoxybenzenesulfonamide;N-diazo-4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide;N-diazo-2-methylbenzenesulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)N=[N+]=[N-])cccc12.COc1ccc(S(=O)(=O)N=[N+]=[N-])cc1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(S(=O)(=O)N=[N+]=[N-])cc2)c1.Cc1ccccc1S(=O)(=O)N=[N+]=[N-].[N-]=[N+]=NS(=O)(=O)CCN(Cc1ccccc1)Cc1ccccc1.[N-]=[N+]=NS(=O)(=O)CCN1CCC(Cc2ccccc2)CC1.[N-]=[N+]=NS(=O)(=O)CCN1CCCC2CCCCC21.[N-]=[N+]=NS(=O)(=O)CCN1CCN(Cc2ccc3c(c2)OCO3)CC1.[N-]=[N+]=NS(=O)(=O)CCN1CCc2ccccc2C1.[N-]=[N+]=NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H24N4O3S2.C16H18N4O2S.C14H19N5O4S.C14H20N4O2S.C12H12N4O2S.C11H20N4O2S.C11H14N4O2S.C7H7N3O3S.C7H7N3O2S.C6H4ClN3O2S/c1-30-21-7-5-6-20(16-21)18-27(14-15-31-22-8-3-2-4-9-22)17-19-10-12-23(13-11-19)32(28,29)26-25-24;17-18-19-23(21,22)12-11-20(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;15-16-17-24(20,21)8-7-18-3-5-19(6-4-18)10-12-1-2-13-14(9-12)23-11-22-13;15-16-17-21(19,20)11-10-18-8-6-14(7-9-18)12-13-4-2-1-3-5-13;1-16(2)11-7-3-6-10-9(11)5-4-8-12(10)19(17,18)15-14-13;12-13-14-18(16,17)9-8-15-7-3-5-10-4-1-2-6-11(10)15;12-13-14-18(16,17)8-7-15-6-5-10-3-1-2-4-11(10)9-15;1-13-6-2-4-7(5-3-6)14(11,12)10-9-8;1-6-4-2-3-5-7(6)13(11,12)10-9-8;7-5-1-3-6(4-2-5)13(11,12)10-9-8/h2-13,16H,14-15,17-18H2,1H3;1-10H,11-14H2;1-2,9H,3-8,10-11H2;1-5,14H,6-12H2;3-8H,1-2H3;10-11H,1-9H2;1-4H,5-9H2;2-5H,1H3;2-5H,1H3;1-4H
InChIKeyFVOBXJQCPXEXPJ-UHFFFAOYSA-N
XLogP25.47
TPSA891.84 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds49
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002903.92
LogP ≤ 525.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-diazoethanesulfonamide;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-diazoethanesulfonamide;2-(4-benzylpiperidin-1-yl)-N-diazoethanesulfonamide;4-chloro-N-diazobenzenesulfonamide;N-diazo-2-(dibenzylamino)ethanesulfonamide;N-diazo-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonamide;N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;N-diazo-4-methoxybenzenesulfonamide;N-diazo-4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide;N-diazo-2-methylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-diazoethanesulfonamide;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-diazoethanesulfonamide;2-(4-benzylpiperidin-1-yl)-N-diazoethanesulfonamide;4-chloro-N-diazobenzenesulfonamide;N-diazo-2-(dibenzylamino)ethanesulfonamide;N-diazo-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonamide;N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;N-diazo-4-methoxybenzenesulfonamide;N-diazo-4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide;N-diazo-2-methylbenzenesulfonamide?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-diazoethanesulfonamide;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-diazoethanesulfonamide;2-(4-benzylpiperidin-1-yl)-N-diazoethanesulfonamide;4-chloro-N-diazobenzenesulfonamide;N-diazo-2-(dibenzylamino)ethanesulfonamide;N-diazo-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonamide;N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;N-diazo-4-methoxybenzenesulfonamide;N-diazo-4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide;N-diazo-2-methylbenzenesulfonamide (CID 158154871) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-diazoethanesulfonamide;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-diazoethanesulfonamide;2-(4-benzylpiperidin-1-yl)-N-diazoethanesulfonamide;4-chloro-N-diazobenzenesulfonamide;N-diazo-2-(dibenzylamino)ethanesulfonamide;N-diazo-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonamide;N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;N-diazo-4-methoxybenzenesulfonamide;N-diazo-4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide;N-diazo-2-methylbenzenesulfonamide.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-diazoethanesulfonamide;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-diazoethanesulfonamide;2-(4-benzylpiperidin-1-yl)-N-diazoethanesulfonamide;4-chloro-N-diazobenzenesulfonamide;N-diazo-2-(dibenzylamino)ethanesulfonamide;N-diazo-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonamide;N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;N-diazo-4-methoxybenzenesulfonamide;N-diazo-4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide;N-diazo-2-methylbenzenesulfonamide?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-diazoethanesulfonamide;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-diazoethanesulfonamide;2-(4-benzylpiperidin-1-yl)-N-diazoethanesulfonamide;4-chloro-N-diazobenzenesulfonamide;N-diazo-2-(dibenzylamino)ethanesulfonamide;N-diazo-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonamide;N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;N-diazo-4-methoxybenzenesulfonamide;N-diazo-4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide;N-diazo-2-methylbenzenesulfonamide is CN(C)c1cccc2c(S(=O)(=O)N=[N+]=[N-])cccc12.COc1ccc(S(=O)(=O)N=[N+]=[N-])cc1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(S(=O)(=O)N=[N+]=[N-])cc2)c1.Cc1ccccc1S(=O)(=O)N=[N+]=[N-].[N-]=[N+]=NS(=O)(=O)CCN(Cc1ccccc1)Cc1ccccc1.[N-]=[N+]=NS(=O)(=O)CCN1CCC(Cc2ccccc2)CC1.[N-]=[N+]=NS(=O)(=O)CCN1CCCC2CCCCC21.[N-]=[N+]=NS(=O)(=O)CCN1CCN(Cc2ccc3c(c2)OCO3)CC1.[N-]=[N+]=NS(=O)(=O)CCN1CCc2ccccc2C1.[N-]=[N+]=NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-diazoethanesulfonamide;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-diazoethanesulfonamide;2-(4-benzylpiperidin-1-yl)-N-diazoethanesulfonamide;4-chloro-N-diazobenzenesulfonamide;N-diazo-2-(dibenzylamino)ethanesulfonamide;N-diazo-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonamide;N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;N-diazo-4-methoxybenzenesulfonamide;N-diazo-4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide;N-diazo-2-methylbenzenesulfonamide?
The InChIKey is FVOBXJQCPXEXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S2.C16H18N4O2S.C14H19N5O4S.C14H20N4O2S.C12H12N4O2S.C11H20N4O2S.C11H14N4O2S.C7H7N3O3S.C7H7N3O2S.C6H4ClN3O2S/c1-30-21-7-5-6-20(16-21)18-27(14-15-31-22-8-3-2-4-9-22)17-19-10-12-23(13-11-19)32(28,29)26-25-24;17-18-19-23(21,22)12-11-20(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;15-16-17-24(20,21)8-7-18-3-5-19(6-4-18)10-12-1-2-13-14(9-12)23-11-22-13;15-16-17-21(19,20)11-10-18-8-6-14(7-9-18)12-13-4-2-1-3-5-13;1-16(2)11-7-3-6-10-9(11)5-4-8-12(10)19(17,18)15-14-13;12-13-14-18(16,17)9-8-15-7-3-5-10-4-1-2-6-11(10)15;12-13-14-18(16,17)8-7-15-6-5-10-3-1-2-4-11(10)9-15;1-13-6-2-4-7(5-3-6)14(11,12)10-9-8;1-6-4-2-3-5-7(6)13(11,12)10-9-8;7-5-1-3-6(4-2-5)13(11,12)10-9-8/h2-13,16H,14-15,17-18H2,1H3;1-10H,11-14H2;1-2,9H,3-8,10-11H2;1-5,14H,6-12H2;3-8H,1-2H3;10-11H,1-9H2;1-4H,5-9H2;2-5H,1H3;2-5H,1H3;1-4H.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-diazoethanesulfonamide;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-diazoethanesulfonamide;2-(4-benzylpiperidin-1-yl)-N-diazoethanesulfonamide;4-chloro-N-diazobenzenesulfonamide;N-diazo-2-(dibenzylamino)ethanesulfonamide;N-diazo-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonamide;N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;N-diazo-4-methoxybenzenesulfonamide;N-diazo-4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide;N-diazo-2-methylbenzenesulfonamide?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-diazoethanesulfonamide;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-diazoethanesulfonamide;2-(4-benzylpiperidin-1-yl)-N-diazoethanesulfonamide;4-chloro-N-diazobenzenesulfonamide;N-diazo-2-(dibenzylamino)ethanesulfonamide;N-diazo-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonamide;N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;N-diazo-4-methoxybenzenesulfonamide;N-diazo-4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide;N-diazo-2-methylbenzenesulfonamide has a molecular weight of 2903.92 g/mol, XLogP of 25.47, 49 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-diazoethanesulfonamide;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-diazoethanesulfonamide;2-(4-benzylpiperidin-1-yl)-N-diazoethanesulfonamide;4-chloro-N-diazobenzenesulfonamide;N-diazo-2-(dibenzylamino)ethanesulfonamide;N-diazo-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonamide;N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;N-diazo-4-methoxybenzenesulfonamide;N-diazo-4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide;N-diazo-2-methylbenzenesulfonamide is sourced from PubChem (CID 158154871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).