4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide

C8H9FN6O2S — CID 82843953

IUPAC4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2nn[nH]n2)cc1F
InChIInChI=1S/C8H9FN6O2S/c9-6-3-5(1-2-7(6)10)18(16,17)11-4-8-12-14-15-13-8/h1-3,11H,4,10H2,(H,12,13,14,15)
InChIKeyCBWUAUXAPQEOIH-UHFFFAOYSA-N
MW272.27 g/mol
LogP-0.60
Rot. Bonds4

About 4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide

4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 82843953) has the molecular formula C8H9FN6O2S and a molecular weight of 272.27 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
PubChem CID82843953
Molecular FormulaC8H9FN6O2S
Molecular Weight272.27 g/mol
Exact Mass272.05
IUPAC Name4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2nn[nH]n2)cc1F
InChIInChI=1S/C8H9FN6O2S/c9-6-3-5(1-2-7(6)10)18(16,17)11-4-8-12-14-15-13-8/h1-3,11H,4,10H2,(H,12,13,14,15)
InChIKeyCBWUAUXAPQEOIH-UHFFFAOYSA-N
XLogP-0.60
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 81438010
4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 62157363
5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide
CID 104850425
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 110720169
4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 82843640
4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82844185
3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 106504713
4-amino-3-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 82844259
3-amino-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 115993512
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 82844779
4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 82844047

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (CID 82843953) is 4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NCc2nn[nH]n2)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is CBWUAUXAPQEOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN6O2S/c9-6-3-5(1-2-7(6)10)18(16,17)11-4-8-12-14-15-13-8/h1-3,11H,4,10H2,(H,12,13,14,15).
What are the key properties of 4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 272.27 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 82843953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).