N-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide

C28H26N2O6S3 — CID 122208299

IUPACN-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)/C(=C\c2ccccc2)N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H26N2O6S3/c1-23-18-20-27(21-19-23)37(31,32)29(2)28(22-24-12-6-3-7-13-24)30(38(33,34)25-14-8-4-9-15-25)39(35,36)26-16-10-5-11-17-26/h3-22H,1-2H3/b28-22+
InChIKeyWTTBARZVQYTWIV-XAYXJRQQSA-N
MW582.73 g/mol
LogP4.69
Rot. Bonds9

About N-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide

N-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 122208299) has the molecular formula C28H26N2O6S3 and a molecular weight of 582.73 g/mol. Its IUPAC name is N-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
PubChem CID122208299
Molecular FormulaC28H26N2O6S3
Molecular Weight582.73 g/mol
Exact Mass582.10
IUPAC NameN-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)/C(=C\c2ccccc2)N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H26N2O6S3/c1-23-18-20-27(21-19-23)37(31,32)29(2)28(22-24-12-6-3-7-13-24)30(38(33,34)25-14-8-4-9-15-25)39(35,36)26-16-10-5-11-17-26/h3-22H,1-2H3/b28-22+
InChIKeyWTTBARZVQYTWIV-XAYXJRQQSA-N
XLogP4.69
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.73
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide
CID 122208308
N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
CID 155490363
N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135052084
N-(benzenesulfonyl)-N-[(E)-1-[benzyl(methylsulfonyl)amino]-2-phenylethenyl]benzenesulfonamide
CID 122208301
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene
CID 819514
1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea
CID 15716439
1,1,3,3-tetrakis-(4-methylphenyl)sulfonylurea
CID 91209973
N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide
CID 10043080
N-[(E)-1-hydroxy-2-methyl-3-phenylprop-2-enyl]-4-methylbenzenesulfonamide
CID 135033918
1-methyl-4-[(Z)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]sulfonylbenzene
CID 100923020
4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 46188827

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide (CID 122208299) is N-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)/C(=C\c2ccccc2)N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is WTTBARZVQYTWIV-XAYXJRQQSA-N. The full InChI is InChI=1S/C28H26N2O6S3/c1-23-18-20-27(21-19-23)37(31,32)29(2)28(22-24-12-6-3-7-13-24)30(38(33,34)25-14-8-4-9-15-25)39(35,36)26-16-10-5-11-17-26/h3-22H,1-2H3/b28-22+.
What are the key properties of N-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide?
N-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 582.73 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 122208299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).