N-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride

C15H18ClNO2S — CID 142645086

IUPACN-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride
SMILESCc1ccc(C)c(CNS(=O)(=O)c2ccccc2)c1.Cl
InChIInChI=1S/C15H17NO2S.ClH/c1-12-8-9-13(2)14(10-12)11-16-19(17,18)15-6-4-3-5-7-15;/h3-10,16H,11H2,1-2H3;1H
InChIKeyHJBCVYYDQHBFMJ-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.20
Rot. Bonds4

About N-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride

N-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride (PubChem CID 142645086) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride
PubChem CID142645086
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC NameN-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride
SMILESCc1ccc(C)c(CNS(=O)(=O)c2ccccc2)c1.Cl
InChIInChI=1S/C15H17NO2S.ClH/c1-12-8-9-13(2)14(10-12)11-16-19(17,18)15-6-4-3-5-7-15;/h3-10,16H,11H2,1-2H3;1H
InChIKeyHJBCVYYDQHBFMJ-UHFFFAOYSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride (CID 142645086) is N-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride is Cc1ccc(C)c(CNS(=O)(=O)c2ccccc2)c1.Cl.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride?
The InChIKey is HJBCVYYDQHBFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S.ClH/c1-12-8-9-13(2)14(10-12)11-16-19(17,18)15-6-4-3-5-7-15;/h3-10,16H,11H2,1-2H3;1H.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride?
N-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride has a molecular weight of 311.83 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 142645086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).