(4-aminophenyl)methanesulfonamide

C7H10N2O2S — CID 10821407

IUPAC(4-aminophenyl)methanesulfonamide
SMILESNc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C7H10N2O2S/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
InChIKeyNTYOKQYEVIDMCY-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.06
Rot. Bonds2

About (4-aminophenyl)methanesulfonamide

(4-aminophenyl)methanesulfonamide (PubChem CID 10821407) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is (4-aminophenyl)methanesulfonamide.

Molecular Properties

Compound Name(4-aminophenyl)methanesulfonamide
PubChem CID10821407
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name(4-aminophenyl)methanesulfonamide
SMILESNc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C7H10N2O2S/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
InChIKeyNTYOKQYEVIDMCY-UHFFFAOYSA-N
XLogP0.06
TPSA86.18 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 ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)methanesulfonamide?
The IUPAC name of (4-aminophenyl)methanesulfonamide (CID 10821407) is (4-aminophenyl)methanesulfonamide.
What is the SMILES notation for (4-aminophenyl)methanesulfonamide?
The canonical SMILES for (4-aminophenyl)methanesulfonamide is Nc1ccc(CS(N)(=O)=O)cc1.
What is the InChIKey of (4-aminophenyl)methanesulfonamide?
The InChIKey is NTYOKQYEVIDMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5,8H2,(H2,9,10,11).
What are the key properties of (4-aminophenyl)methanesulfonamide?
(4-aminophenyl)methanesulfonamide has a molecular weight of 186.24 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)methanesulfonamide is sourced from PubChem (CID 10821407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).