N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide

C15H12FN5O3S — CID 31930638

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)c2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C15H12FN5O3S/c1-25(23,24)12-5-6-13(16)14(8-12)18-15(22)10-3-2-4-11(7-10)21-9-17-19-20-21/h2-9H,1H3,(H,18,22)
InChIKeyYXCJVTCLZZUJCL-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.46
Rot. Bonds4

About N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide

N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 31930638) has the molecular formula C15H12FN5O3S and a molecular weight of 361.36 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
PubChem CID31930638
Molecular FormulaC15H12FN5O3S
Molecular Weight361.36 g/mol
Exact Mass361.06
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)c2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C15H12FN5O3S/c1-25(23,24)12-5-6-13(16)14(8-12)18-15(22)10-3-2-4-11(7-10)21-9-17-19-20-21/h2-9H,1H3,(H,18,22)
InChIKeyYXCJVTCLZZUJCL-UHFFFAOYSA-N
XLogP1.46
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
CID 16648846
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139
N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
CID 51149042
N-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide
CID 47068482
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26209349
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 55642801
N-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide
CID 71705732

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide (CID 31930638) is N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide is CS(=O)(=O)c1ccc(F)c(NC(=O)c2cccc(-n3cnnn3)c2)c1.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is YXCJVTCLZZUJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O3S/c1-25(23,24)12-5-6-13(16)14(8-12)18-15(22)10-3-2-4-11(7-10)21-9-17-19-20-21/h2-9H,1H3,(H,18,22).
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide?
N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 361.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 31930638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).