N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide

C23H24N2O6S3 — CID 122208308

IUPACN-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide
SMILESC/C=C(/N(C)S(=O)(=O)c1ccc(C)cc1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H24N2O6S3/c1-4-23(24(3)32(26,27)22-17-15-19(2)16-18-22)25(33(28,29)20-11-7-5-8-12-20)34(30,31)21-13-9-6-10-14-21/h4-18H,1-3H3/b23-4-
InChIKeyAZEKZNFEDIKNDQ-WVHIBCRRSA-N
MW520.65 g/mol
LogP3.56
Rot. Bonds8

About N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide

N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 122208308) has the molecular formula C23H24N2O6S3 and a molecular weight of 520.65 g/mol. Its IUPAC name is N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide
PubChem CID122208308
Molecular FormulaC23H24N2O6S3
Molecular Weight520.65 g/mol
Exact Mass520.08
IUPAC NameN-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide
SMILESC/C=C(/N(C)S(=O)(=O)c1ccc(C)cc1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H24N2O6S3/c1-4-23(24(3)32(26,27)22-17-15-19(2)16-18-22)25(33(28,29)20-11-7-5-8-12-20)34(30,31)21-13-9-6-10-14-21/h4-18H,1-3H3/b23-4-
InChIKeyAZEKZNFEDIKNDQ-WVHIBCRRSA-N
XLogP3.56
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.65
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
CID 122208299
N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
CID 155490363
N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135052084
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea
CID 15716439
1,1,3,3-tetrakis-(4-methylphenyl)sulfonylurea
CID 91209973
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
1,1,3-tris-(4-methylphenyl)sulfonylurea
CID 91086807
N-fluoro-4-methyl-N-phenylbenzenesulfonamide
CID 146522187
N-(benzenesulfonyl)-N,3-dimethylbenzamide
CID 47276844
N-[(E)-4-hydroxybut-2-enyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 102266545
N-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide
CID 12577971

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide (CID 122208308) is N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide is C/C=C(/N(C)S(=O)(=O)c1ccc(C)cc1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is AZEKZNFEDIKNDQ-WVHIBCRRSA-N. The full InChI is InChI=1S/C23H24N2O6S3/c1-4-23(24(3)32(26,27)22-17-15-19(2)16-18-22)25(33(28,29)20-11-7-5-8-12-20)34(30,31)21-13-9-6-10-14-21/h4-18H,1-3H3/b23-4-.
What are the key properties of N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide?
N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 520.65 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 122208308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).