4-amino-2-methylbenzenesulfonamide

C7H10N2O2S — CID 3023605

IUPAC4-amino-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(N)(=O)=O
InChIInChI=1S/C7H10N2O2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
InChIKeyPPGSUPFDLFLUAL-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.22
Rot. Bonds1

About 4-amino-2-methylbenzenesulfonamide

4-amino-2-methylbenzenesulfonamide (PubChem CID 3023605) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-amino-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methylbenzenesulfonamide
PubChem CID3023605
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name4-amino-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(N)(=O)=O
InChIInChI=1S/C7H10N2O2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
InChIKeyPPGSUPFDLFLUAL-UHFFFAOYSA-N
XLogP0.22
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.22
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 4-amino-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-2-methylbenzenesulfonamide (CID 3023605) is 4-amino-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-methylbenzenesulfonamide is Cc1cc(N)ccc1S(N)(=O)=O.
What is the InChIKey of 4-amino-2-methylbenzenesulfonamide?
The InChIKey is PPGSUPFDLFLUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11).
What are the key properties of 4-amino-2-methylbenzenesulfonamide?
4-amino-2-methylbenzenesulfonamide has a molecular weight of 186.24 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylbenzenesulfonamide is sourced from PubChem (CID 3023605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).