N-(benzenesulfonyl)-N-[(E)-1-[benzyl(methylsulfonyl)amino]-2-phenylethenyl]benzenesulfonamide

C28H26N2O6S3 — CID 122208301

IUPACN-(benzenesulfonyl)-N-[(E)-1-[benzyl(methylsulfonyl)amino]-2-phenylethenyl]benzenesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)/C(=C\c1ccccc1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H26N2O6S3/c1-37(31,32)29(23-25-16-8-3-9-17-25)28(22-24-14-6-2-7-15-24)30(38(33,34)26-18-10-4-11-19-26)39(35,36)27-20-12-5-13-21-27/h2-22H,23H2,1H3/b28-22+
InChIKeyJVDCHSRIPBIQDI-XAYXJRQQSA-N
MW582.73 g/mol
LogP4.53
Rot. Bonds10

About N-(benzenesulfonyl)-N-[(E)-1-[benzyl(methylsulfonyl)amino]-2-phenylethenyl]benzenesulfonamide

N-(benzenesulfonyl)-N-[(E)-1-[benzyl(methylsulfonyl)amino]-2-phenylethenyl]benzenesulfonamide (PubChem CID 122208301) has the molecular formula C28H26N2O6S3 and a molecular weight of 582.73 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-[(E)-1-[benzyl(methylsulfonyl)amino]-2-phenylethenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-[(E)-1-[benzyl(methylsulfonyl)amino]-2-phenylethenyl]benzenesulfonamide
PubChem CID122208301
Molecular FormulaC28H26N2O6S3
Molecular Weight582.73 g/mol
Exact Mass582.10
IUPAC NameN-(benzenesulfonyl)-N-[(E)-1-[benzyl(methylsulfonyl)amino]-2-phenylethenyl]benzenesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)/C(=C\c1ccccc1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H26N2O6S3/c1-37(31,32)29(23-25-16-8-3-9-17-25)28(22-24-14-6-2-7-15-24)30(38(33,34)26-18-10-4-11-19-26)39(35,36)27-20-12-5-13-21-27/h2-22H,23H2,1H3/b28-22+
InChIKeyJVDCHSRIPBIQDI-XAYXJRQQSA-N
XLogP4.53
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.73
LogP ≤ 54.53
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
(E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide
CID 101014458
N-benzyl-N-hydroxybenzenesulfonamide
CID 71955991
N-benzyl-2-methyl-N-methylsulfonylpropanamide
CID 124927817
N-benzyl-2-chloro-N-methylsulfonylacetamide
CID 83381162
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide
CID 122208308
N-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide
CID 91136182
[(Z)-1-[benzyl-(4-methylphenyl)sulfonylamino]-2-phenylethenyl] 3,5-dimethoxybenzoate
CID 177385033

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-[(E)-1-[benzyl(methylsulfonyl)amino]-2-phenylethenyl]benzenesulfonamide?
The IUPAC name of N-(benzenesulfonyl)-N-[(E)-1-[benzyl(methylsulfonyl)amino]-2-phenylethenyl]benzenesulfonamide (CID 122208301) is N-(benzenesulfonyl)-N-[(E)-1-[benzyl(methylsulfonyl)amino]-2-phenylethenyl]benzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-[(E)-1-[benzyl(methylsulfonyl)amino]-2-phenylethenyl]benzenesulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-N-[(E)-1-[benzyl(methylsulfonyl)amino]-2-phenylethenyl]benzenesulfonamide is CS(=O)(=O)N(Cc1ccccc1)/C(=C\c1ccccc1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-[(E)-1-[benzyl(methylsulfonyl)amino]-2-phenylethenyl]benzenesulfonamide?
The InChIKey is JVDCHSRIPBIQDI-XAYXJRQQSA-N. The full InChI is InChI=1S/C28H26N2O6S3/c1-37(31,32)29(23-25-16-8-3-9-17-25)28(22-24-14-6-2-7-15-24)30(38(33,34)26-18-10-4-11-19-26)39(35,36)27-20-12-5-13-21-27/h2-22H,23H2,1H3/b28-22+.
What are the key properties of N-(benzenesulfonyl)-N-[(E)-1-[benzyl(methylsulfonyl)amino]-2-phenylethenyl]benzenesulfonamide?
N-(benzenesulfonyl)-N-[(E)-1-[benzyl(methylsulfonyl)amino]-2-phenylethenyl]benzenesulfonamide has a molecular weight of 582.73 g/mol, XLogP of 4.53, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-[(E)-1-[benzyl(methylsulfonyl)amino]-2-phenylethenyl]benzenesulfonamide is sourced from PubChem (CID 122208301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).