N-(3-aminophenyl)methanesulfonamide

C7H10N2O2S — CID 2734262

IUPACN-(3-aminophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(N)c1
InChIInChI=1S/C7H10N2O2S/c1-12(10,11)9-7-4-2-3-6(8)5-7/h2-5,9H,8H2,1H3
InChIKeyUQRRCQRFQGOHAI-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.64
Rot. Bonds2

About N-(3-aminophenyl)methanesulfonamide

N-(3-aminophenyl)methanesulfonamide (PubChem CID 2734262) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is N-(3-aminophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)methanesulfonamide
PubChem CID2734262
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC NameN-(3-aminophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(N)c1
InChIInChI=1S/C7H10N2O2S/c1-12(10,11)9-7-4-2-3-6(8)5-7/h2-5,9H,8H2,1H3
InChIKeyUQRRCQRFQGOHAI-UHFFFAOYSA-N
XLogP0.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.64
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-(3-aminophenyl)methanesulfonamide?
The IUPAC name of N-(3-aminophenyl)methanesulfonamide (CID 2734262) is N-(3-aminophenyl)methanesulfonamide.
What is the SMILES notation for N-(3-aminophenyl)methanesulfonamide?
The canonical SMILES for N-(3-aminophenyl)methanesulfonamide is CS(=O)(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)methanesulfonamide?
The InChIKey is UQRRCQRFQGOHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-12(10,11)9-7-4-2-3-6(8)5-7/h2-5,9H,8H2,1H3.
What are the key properties of N-(3-aminophenyl)methanesulfonamide?
N-(3-aminophenyl)methanesulfonamide has a molecular weight of 186.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)methanesulfonamide is sourced from PubChem (CID 2734262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).