N-(2-methylphenyl)methanesulfonamide

C8H11NO2S — CID 5065377

IUPACN-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C8H11NO2S/c1-7-5-3-4-6-8(7)9-12(2,10)11/h3-6,9H,1-2H3
InChIKeyKSWJWTKGCHLIIX-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.37
Rot. Bonds2

About N-(2-methylphenyl)methanesulfonamide

N-(2-methylphenyl)methanesulfonamide (PubChem CID 5065377) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is N-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)methanesulfonamide
PubChem CID5065377
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC NameN-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C8H11NO2S/c1-7-5-3-4-6-8(7)9-12(2,10)11/h3-6,9H,1-2H3
InChIKeyKSWJWTKGCHLIIX-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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Related Compounds

O-Toluidine
CID 7242
2,5-Diaminotoluene sulfate
CID 22856
2-Toluidine hydrochloride
CID 12484
N,N-Dimethyl-N'-p-tolylsulphamide
CID 738302
2-Ethylaniline
CID 11357
p-Toluenesulfono-o-toluidide
CID 66457
Benzenesulfonamide, 4-methyl-N-phenyl-
CID 2456
2-Propylaniline
CID 15759
Methanesulfonamide, N-phenyl-
CID 70970
2-Isopropenylaniline
CID 96494
methylaminosulfotoluidide (IX)
CID 25044572
N,1-diphenylmethanesulfonamide
CID 669287

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-(2-methylphenyl)methanesulfonamide (CID 5065377) is N-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-methylphenyl)methanesulfonamide is Cc1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-(2-methylphenyl)methanesulfonamide?
The InChIKey is KSWJWTKGCHLIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-7-5-3-4-6-8(7)9-12(2,10)11/h3-6,9H,1-2H3.
What are the key properties of N-(2-methylphenyl)methanesulfonamide?
N-(2-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-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 5065377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).