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

C15H12ClN5O3S — CID 24686822

IUPACN-(2-chloro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C15H12ClN5O3S/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)
InChIKeyGTTFPWFCMAINRY-UHFFFAOYSA-N
MW377.81 g/mol
LogP1.97
Rot. Bonds4

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

N-(2-chloro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 24686822) has the molecular formula C15H12ClN5O3S and a molecular weight of 377.81 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
PubChem CID24686822
Molecular FormulaC15H12ClN5O3S
Molecular Weight377.81 g/mol
Exact Mass377.03
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C15H12ClN5O3S/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)
InChIKeyGTTFPWFCMAINRY-UHFFFAOYSA-N
XLogP1.97
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide (CID 24686822) is N-(2-chloro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide is CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cccc(-n3cnnn3)c2)c1.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is GTTFPWFCMAINRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O3S/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-chloro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide?
N-(2-chloro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 377.81 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 24686822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).