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

C14H12FN5O2S — CID 44576535

IUPAC4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2nn[nH]n2)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H12FN5O2S/c1-9-2-7-12(14-16-19-20-17-14)13(8-9)18-23(21,22)11-5-3-10(15)4-6-11/h2-8,18H,1H3,(H,16,17,19,20)
InChIKeyDXMGSXPFMISAJF-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.12
Rot. Bonds4

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

4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 44576535) has the molecular formula C14H12FN5O2S and a molecular weight of 333.35 g/mol. Its IUPAC name is 4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
PubChem CID44576535
Molecular FormulaC14H12FN5O2S
Molecular Weight333.35 g/mol
Exact Mass333.07
IUPAC Name4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2nn[nH]n2)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H12FN5O2S/c1-9-2-7-12(14-16-19-20-17-14)13(8-9)18-23(21,22)11-5-3-10(15)4-6-11/h2-8,18H,1H3,(H,16,17,19,20)
InChIKeyDXMGSXPFMISAJF-UHFFFAOYSA-N
XLogP2.12
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370119
N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
CID 171350497
N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide
CID 171357428
4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 46830882
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 8823430
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122319830
4-ethyl-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 7516558
N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide
CID 169371660
4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 28968050

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide (CID 44576535) is 4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide is Cc1ccc(-c2nn[nH]n2)c(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is DXMGSXPFMISAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2S/c1-9-2-7-12(14-16-19-20-17-14)13(8-9)18-23(21,22)11-5-3-10(15)4-6-11/h2-8,18H,1H3,(H,16,17,19,20).
What are the key properties of 4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 333.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 44576535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).