4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide

C13H10FN5O2S — CID 8823430

IUPAC4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1
InChIInChI=1S/C13H10FN5O2S/c14-10-4-6-12(7-5-10)22(20,21)17-11-3-1-2-9(8-11)13-15-18-19-16-13/h1-8,17H,(H,15,16,18,19)
InChIKeyNTELIKWYXYZCNQ-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.81
Rot. Bonds4

About 4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide

4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 8823430) has the molecular formula C13H10FN5O2S and a molecular weight of 319.32 g/mol. Its IUPAC name is 4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
PubChem CID8823430
Molecular FormulaC13H10FN5O2S
Molecular Weight319.32 g/mol
Exact Mass319.05
IUPAC Name4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1
InChIInChI=1S/C13H10FN5O2S/c14-10-4-6-12(7-5-10)22(20,21)17-11-3-1-2-9(8-11)13-15-18-19-16-13/h1-8,17H,(H,15,16,18,19)
InChIKeyNTELIKWYXYZCNQ-UHFFFAOYSA-N
XLogP1.81
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]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-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720303
2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 8823439
5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 175177926
2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720322
3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide
CID 56941162
5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
CID 56942318
4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 44576535
4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 46830882
4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720283
4-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 17341987
3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 78843376
N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide
CID 171357428

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide (CID 8823430) is 4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is NTELIKWYXYZCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O2S/c14-10-4-6-12(7-5-10)22(20,21)17-11-3-1-2-9(8-11)13-15-18-19-16-13/h1-8,17H,(H,15,16,18,19).
What are the key properties of 4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 319.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 8823430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).