N-benzyl-3-methylbenzenesulfonamide

C14H15NO2S — CID 2433190

IUPACN-benzyl-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C14H15NO2S/c1-12-6-5-9-14(10-12)18(16,17)15-11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3
InChIKeySICYLKAJUDRACE-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.47
Rot. Bonds4

About N-benzyl-3-methylbenzenesulfonamide

N-benzyl-3-methylbenzenesulfonamide (PubChem CID 2433190) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-benzyl-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-methylbenzenesulfonamide
PubChem CID2433190
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-benzyl-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C14H15NO2S/c1-12-6-5-9-14(10-12)18(16,17)15-11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3
InChIKeySICYLKAJUDRACE-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-3-methylbenzenesulfonamide (CID 2433190) is N-benzyl-3-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-3-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-methylbenzenesulfonamide?
The InChIKey is SICYLKAJUDRACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-12-6-5-9-14(10-12)18(16,17)15-11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3.
What are the key properties of N-benzyl-3-methylbenzenesulfonamide?
N-benzyl-3-methylbenzenesulfonamide has a molecular weight of 261.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methylbenzenesulfonamide is sourced from PubChem (CID 2433190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).