N-(5-amino-2-methylphenyl)methanesulfonamide

C8H12N2O2S — CID 2774210

IUPACN-(5-amino-2-methylphenyl)methanesulfonamide
SMILESCc1ccc(N)cc1NS(C)(=O)=O
InChIInChI=1S/C8H12N2O2S/c1-6-3-4-7(9)5-8(6)10-13(2,11)12/h3-5,10H,9H2,1-2H3
InChIKeyGQZVKPMCUDEXBW-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.95
Rot. Bonds2

About N-(5-amino-2-methylphenyl)methanesulfonamide

N-(5-amino-2-methylphenyl)methanesulfonamide (PubChem CID 2774210) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)methanesulfonamide
PubChem CID2774210
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-(5-amino-2-methylphenyl)methanesulfonamide
SMILESCc1ccc(N)cc1NS(C)(=O)=O
InChIInChI=1S/C8H12N2O2S/c1-6-3-4-7(9)5-8(6)10-13(2,11)12/h3-5,10H,9H2,1-2H3
InChIKeyGQZVKPMCUDEXBW-UHFFFAOYSA-N
XLogP0.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)methanesulfonamide?
The IUPAC name of N-(5-amino-2-methylphenyl)methanesulfonamide (CID 2774210) is N-(5-amino-2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)methanesulfonamide is Cc1ccc(N)cc1NS(C)(=O)=O.
What is the InChIKey of N-(5-amino-2-methylphenyl)methanesulfonamide?
The InChIKey is GQZVKPMCUDEXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6-3-4-7(9)5-8(6)10-13(2,11)12/h3-5,10H,9H2,1-2H3.
What are the key properties of N-(5-amino-2-methylphenyl)methanesulfonamide?
N-(5-amino-2-methylphenyl)methanesulfonamide has a molecular weight of 200.26 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 2774210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).