N-benzhydryl-4-methylbenzenesulfonamide

C20H19NO2S — CID 602705

IUPACN-benzhydryl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19NO2S/c1-16-12-14-19(15-13-16)24(22,23)21-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20-21H,1H3
InChIKeyGRRYGPYATNGHAZ-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.06
Rot. Bonds5

About N-benzhydryl-4-methylbenzenesulfonamide

N-benzhydryl-4-methylbenzenesulfonamide (PubChem CID 602705) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-benzhydryl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzhydryl-4-methylbenzenesulfonamide
PubChem CID602705
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-benzhydryl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19NO2S/c1-16-12-14-19(15-13-16)24(22,23)21-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20-21H,1H3
InChIKeyGRRYGPYATNGHAZ-UHFFFAOYSA-N
XLogP4.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-methylbenzenesulfonamide?
The IUPAC name of N-benzhydryl-4-methylbenzenesulfonamide (CID 602705) is N-benzhydryl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzhydryl-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzhydryl-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-4-methylbenzenesulfonamide?
The InChIKey is GRRYGPYATNGHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-16-12-14-19(15-13-16)24(22,23)21-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20-21H,1H3.
What are the key properties of N-benzhydryl-4-methylbenzenesulfonamide?
N-benzhydryl-4-methylbenzenesulfonamide has a molecular weight of 337.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-methylbenzenesulfonamide is sourced from PubChem (CID 602705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).