N-[4-(2-methylphenyl)phenyl]methanesulfonamide

C14H15NO2S — CID 59877138

IUPACN-[4-(2-methylphenyl)phenyl]methanesulfonamide
SMILESCc1ccccc1-c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C14H15NO2S/c1-11-5-3-4-6-14(11)12-7-9-13(10-8-12)15-18(2,16)17/h3-10,15H,1-2H3
InChIKeyDICBHMLIQQAYRA-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.03
Rot. Bonds3

About N-[4-(2-methylphenyl)phenyl]methanesulfonamide

N-[4-(2-methylphenyl)phenyl]methanesulfonamide (PubChem CID 59877138) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[4-(2-methylphenyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methylphenyl)phenyl]methanesulfonamide
PubChem CID59877138
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-[4-(2-methylphenyl)phenyl]methanesulfonamide
SMILESCc1ccccc1-c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C14H15NO2S/c1-11-5-3-4-6-14(11)12-7-9-13(10-8-12)15-18(2,16)17/h3-10,15H,1-2H3
InChIKeyDICBHMLIQQAYRA-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylphenyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-methylphenyl)phenyl]methanesulfonamide (CID 59877138) is N-[4-(2-methylphenyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-methylphenyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-methylphenyl)phenyl]methanesulfonamide is Cc1ccccc1-c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(2-methylphenyl)phenyl]methanesulfonamide?
The InChIKey is DICBHMLIQQAYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-11-5-3-4-6-14(11)12-7-9-13(10-8-12)15-18(2,16)17/h3-10,15H,1-2H3.
What are the key properties of N-[4-(2-methylphenyl)phenyl]methanesulfonamide?
N-[4-(2-methylphenyl)phenyl]methanesulfonamide has a molecular weight of 261.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylphenyl)phenyl]methanesulfonamide is sourced from PubChem (CID 59877138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).