N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide

C25H21NO2S — CID 141087488

IUPACN-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
SMILESCN(c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H21NO2S/c1-26(24-16-12-22(13-17-24)20-8-4-2-5-9-20)29(27,28)25-18-14-23(15-19-25)21-10-6-3-7-11-21/h2-19H,1H3
InChIKeyRMPUAYJTAVLQJP-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.85
Rot. Bonds5

About N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide

N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide (PubChem CID 141087488) has the molecular formula C25H21NO2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
PubChem CID141087488
Molecular FormulaC25H21NO2S
Molecular Weight399.52 g/mol
Exact Mass399.13
IUPAC NameN-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
SMILESCN(c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H21NO2S/c1-26(24-16-12-22(13-17-24)20-8-4-2-5-9-20)29(27,28)25-18-14-23(15-19-25)21-10-6-3-7-11-21/h2-19H,1H3
InChIKeyRMPUAYJTAVLQJP-UHFFFAOYSA-N
XLogP5.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
N-methyl-4-phenoxy-N-phenylbenzenesulfonamide
CID 802691
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
4-(2-methoxyphenyl)-N-methyl-N-phenylbenzenesulfonamide
CID 73351058
N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide
CID 13394525
N-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide
CID 110827096
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 95046460
4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide
CID 925037

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide?
The IUPAC name of N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide (CID 141087488) is N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide is CN(c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide?
The InChIKey is RMPUAYJTAVLQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2S/c1-26(24-16-12-22(13-17-24)20-8-4-2-5-9-20)29(27,28)25-18-14-23(15-19-25)21-10-6-3-7-11-21/h2-19H,1H3.
What are the key properties of N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide?
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide has a molecular weight of 399.52 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 141087488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).