N-benzhydryl-2,4-dimethylbenzenesulfonamide

C21H21NO2S — CID 19681706

IUPACN-benzhydryl-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C21H21NO2S/c1-16-13-14-20(17(2)15-16)25(23,24)22-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21-22H,1-2H3
InChIKeyWPOVGRXPQXYZSY-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.37
Rot. Bonds5

About N-benzhydryl-2,4-dimethylbenzenesulfonamide

N-benzhydryl-2,4-dimethylbenzenesulfonamide (PubChem CID 19681706) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-benzhydryl-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzhydryl-2,4-dimethylbenzenesulfonamide
PubChem CID19681706
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC NameN-benzhydryl-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C21H21NO2S/c1-16-13-14-20(17(2)15-16)25(23,24)22-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21-22H,1-2H3
InChIKeyWPOVGRXPQXYZSY-UHFFFAOYSA-N
XLogP4.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzhydryl-2,4-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 100691319
N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide
CID 95706524
N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 133161577
2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 94015794
2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121176514
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide
CID 26528903
2-methyl-N-[(S)-(4-methylphenyl)-phenylmethyl]-5-nitrobenzenesulfonamide
CID 92679163
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43908516
N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide
CID 102281478
N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 65031366

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-benzhydryl-2,4-dimethylbenzenesulfonamide (CID 19681706) is N-benzhydryl-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-benzhydryl-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-benzhydryl-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of N-benzhydryl-2,4-dimethylbenzenesulfonamide?
The InChIKey is WPOVGRXPQXYZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-16-13-14-20(17(2)15-16)25(23,24)22-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21-22H,1-2H3.
What are the key properties of N-benzhydryl-2,4-dimethylbenzenesulfonamide?
N-benzhydryl-2,4-dimethylbenzenesulfonamide has a molecular weight of 351.47 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 19681706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).