4-[4-(aminomethyl)triazol-1-yl]benzenesulfonamide

C9H11N5O2S — CID 82198349

IUPAC4-[4-(aminomethyl)triazol-1-yl]benzenesulfonamide
SMILESNCc1cn(-c2ccc(S(N)(=O)=O)cc2)nn1
InChIInChI=1S/C9H11N5O2S/c10-5-7-6-14(13-12-7)8-1-3-9(4-2-8)17(11,15)16/h1-4,6H,5,10H2,(H2,11,15,16)
InChIKeyQFNFVOBKVKVNFF-UHFFFAOYSA-N
MW253.29 g/mol
LogP-0.63
Rot. Bonds3

About 4-[4-(aminomethyl)triazol-1-yl]benzenesulfonamide

4-[4-(aminomethyl)triazol-1-yl]benzenesulfonamide (PubChem CID 82198349) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 4-[4-(aminomethyl)triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(aminomethyl)triazol-1-yl]benzenesulfonamide
PubChem CID82198349
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name4-[4-(aminomethyl)triazol-1-yl]benzenesulfonamide
SMILESNCc1cn(-c2ccc(S(N)(=O)=O)cc2)nn1
InChIInChI=1S/C9H11N5O2S/c10-5-7-6-14(13-12-7)8-1-3-9(4-2-8)17(11,15)16/h1-4,6H,5,10H2,(H2,11,15,16)
InChIKeyQFNFVOBKVKVNFF-UHFFFAOYSA-N
XLogP-0.63
TPSA116.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-(aminomethyl)triazol-1-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(aminomethyl)triazol-1-yl]benzenesulfonamide (CID 82198349) is 4-[4-(aminomethyl)triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(aminomethyl)triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(aminomethyl)triazol-1-yl]benzenesulfonamide is NCc1cn(-c2ccc(S(N)(=O)=O)cc2)nn1.
What is the InChIKey of 4-[4-(aminomethyl)triazol-1-yl]benzenesulfonamide?
The InChIKey is QFNFVOBKVKVNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c10-5-7-6-14(13-12-7)8-1-3-9(4-2-8)17(11,15)16/h1-4,6H,5,10H2,(H2,11,15,16).
What are the key properties of 4-[4-(aminomethyl)triazol-1-yl]benzenesulfonamide?
4-[4-(aminomethyl)triazol-1-yl]benzenesulfonamide has a molecular weight of 253.29 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 82198349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).