N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide

C20H19NO4S2 — CID 56647729

IUPACN-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H19NO4S2/c1-17-12-14-18(15-13-17)16-21(26(22,23)19-8-4-2-5-9-19)27(24,25)20-10-6-3-7-11-20/h2-15H,16H2,1H3
InChIKeyAUJBUXAGCXIXCY-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.57
Rot. Bonds6

About N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide

N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 56647729) has the molecular formula C20H19NO4S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID56647729
Molecular FormulaC20H19NO4S2
Molecular Weight401.51 g/mol
Exact Mass401.08
IUPAC NameN-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H19NO4S2/c1-17-12-14-18(15-13-17)16-21(26(22,23)19-8-4-2-5-9-19)27(24,25)20-10-6-3-7-11-20/h2-15H,16H2,1H3
InChIKeyAUJBUXAGCXIXCY-UHFFFAOYSA-N
XLogP3.57
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide
CID 135065997
N-(benzenesulfonyl)-N-[(4-cyanophenyl)methyl]benzenesulfonamide
CID 135065156
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-(benzenesulfonyl)-N-[(4-methylphenyl)sulfanylmethyl]benzenesulfonamide
CID 132509348
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
N-benzyl-N-hydroxybenzenesulfonamide
CID 71955991
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide
CID 71624052
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
(2S)-2-[benzyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 11825728
N-(2-benzylprop-2-enyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 154709075
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 28633355

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 56647729) is N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide is Cc1ccc(CN(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is AUJBUXAGCXIXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S2/c1-17-12-14-18(15-13-17)16-21(26(22,23)19-8-4-2-5-9-19)27(24,25)20-10-6-3-7-11-20/h2-15H,16H2,1H3.
What are the key properties of N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide?
N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 401.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 56647729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).