N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide

C18H17N5O2S — CID 174263047

IUPACN-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(/C(N)=C/N)cc2)c2[nH]cc(C#N)c12
InChIInChI=1S/C18H17N5O2S/c1-11-2-7-16(18-17(11)13(8-19)10-22-18)23-26(24,25)14-5-3-12(4-6-14)15(21)9-20/h2-7,9-10,22-23H,20-21H2,1H3/b15-9-
InChIKeyUUEGRSBPGAZZMB-DHDCSXOGSA-N
MW367.43 g/mol
LogP2.36
Rot. Bonds4

About N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide

N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide (PubChem CID 174263047) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide
PubChem CID174263047
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(/C(N)=C/N)cc2)c2[nH]cc(C#N)c12
InChIInChI=1S/C18H17N5O2S/c1-11-2-7-16(18-17(11)13(8-19)10-22-18)23-26(24,25)14-5-3-12(4-6-14)15(21)9-20/h2-7,9-10,22-23H,20-21H2,1H3/b15-9-
InChIKeyUUEGRSBPGAZZMB-DHDCSXOGSA-N
XLogP2.36
TPSA137.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide with MolForge

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Related Compounds

N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide
CID 155116684
1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid
CID 170332020
4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
CID 126455838
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-nitrobenzenesulfonamide
CID 147300883
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide
CID 164863806
methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate
CID 155116653
benzyl N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoyl]-methylamino]carbamate
CID 166430256
2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide
CID 171055458
2-[4-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoyl]amino]imidazol-1-yl]acetic acid
CID 167828382
4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide
CID 167807391
2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
CID 172572539
propan-2-yl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate
CID 166148415

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide (CID 174263047) is N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(/C(N)=C/N)cc2)c2[nH]cc(C#N)c12.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide?
The InChIKey is UUEGRSBPGAZZMB-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-11-2-7-16(18-17(11)13(8-19)10-22-18)23-26(24,25)14-5-3-12(4-6-14)15(21)9-20/h2-7,9-10,22-23H,20-21H2,1H3/b15-9-.
What are the key properties of N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide?
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide has a molecular weight of 367.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide is sourced from PubChem (CID 174263047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).