N-(4-methylphenyl)methanesulfonamide

C8H11NO2S — CID 835475

IUPACN-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C8H11NO2S/c1-7-3-5-8(6-4-7)9-12(2,10)11/h3-6,9H,1-2H3
InChIKeyJSSIRQJITXDDGR-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.37
Rot. Bonds2

About N-(4-methylphenyl)methanesulfonamide

N-(4-methylphenyl)methanesulfonamide (PubChem CID 835475) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is N-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)methanesulfonamide
PubChem CID835475
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC NameN-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C8H11NO2S/c1-7-3-5-8(6-4-7)9-12(2,10)11/h3-6,9H,1-2H3
InChIKeyJSSIRQJITXDDGR-UHFFFAOYSA-N
XLogP1.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-(4-methylphenyl)methanesulfonamide (CID 835475) is N-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(4-methylphenyl)methanesulfonamide is Cc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-(4-methylphenyl)methanesulfonamide?
The InChIKey is JSSIRQJITXDDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-7-3-5-8(6-4-7)9-12(2,10)11/h3-6,9H,1-2H3.
What are the key properties of N-(4-methylphenyl)methanesulfonamide?
N-(4-methylphenyl)methanesulfonamide has a molecular weight of 185.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 835475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).