N-(3-methylphenyl)-4-phenylbenzenesulfonamide

C19H17NO2S — CID 762693

IUPACN-(3-methylphenyl)-4-phenylbenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C19H17NO2S/c1-15-6-5-9-18(14-15)20-23(21,22)19-12-10-17(11-13-19)16-7-3-2-4-8-16/h2-14,20H,1H3
InChIKeyNGUSIXXSBWXPQF-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.46
Rot. Bonds4

About N-(3-methylphenyl)-4-phenylbenzenesulfonamide

N-(3-methylphenyl)-4-phenylbenzenesulfonamide (PubChem CID 762693) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-phenylbenzenesulfonamide
PubChem CID762693
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC NameN-(3-methylphenyl)-4-phenylbenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C19H17NO2S/c1-15-6-5-9-18(14-15)20-23(21,22)19-12-10-17(11-13-19)16-7-3-2-4-8-16/h2-14,20H,1H3
InChIKeyNGUSIXXSBWXPQF-UHFFFAOYSA-N
XLogP4.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(3-methylphenyl)-4-phenylbenzenesulfonamide (CID 762693) is N-(3-methylphenyl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(3-methylphenyl)-4-phenylbenzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-phenylbenzenesulfonamide?
The InChIKey is NGUSIXXSBWXPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-15-6-5-9-18(14-15)20-23(21,22)19-12-10-17(11-13-19)16-7-3-2-4-8-16/h2-14,20H,1H3.
What are the key properties of N-(3-methylphenyl)-4-phenylbenzenesulfonamide?
N-(3-methylphenyl)-4-phenylbenzenesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 762693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).