N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylsulfonylbenzamide

C16H13ClN4O3S — CID 9106498

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C16H13ClN4O3S/c1-25(23,24)15-5-3-2-4-12(15)16(22)20-13-8-11(17)6-7-14(13)21-10-18-9-19-21/h2-10H,1H3,(H,20,22)
InChIKeyBMOCJSHEKDJYHA-UHFFFAOYSA-N
MW376.83 g/mol
LogP2.58
Rot. Bonds4

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylsulfonylbenzamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylsulfonylbenzamide (PubChem CID 9106498) has the molecular formula C16H13ClN4O3S and a molecular weight of 376.83 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylsulfonylbenzamide
PubChem CID9106498
Molecular FormulaC16H13ClN4O3S
Molecular Weight376.83 g/mol
Exact Mass376.04
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C16H13ClN4O3S/c1-25(23,24)15-5-3-2-4-12(15)16(22)20-13-8-11(17)6-7-14(13)21-10-18-9-19-21/h2-10H,1H3,(H,20,22)
InChIKeyBMOCJSHEKDJYHA-UHFFFAOYSA-N
XLogP2.58
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 16549209
N-(2-chloro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
CID 24686822
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 24983026
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-methylthiophene-2-carboxamide
CID 25163770
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 16258696
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,5-difluorobenzamide
CID 8794629
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 16328882
N-(2-chloranyl-5-methylsulfonyl-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24687400
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 24819914
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-tosyl-propionamide
CID 24979955
N-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)-2-((difluoromethyl)sulfonyl)benzamide
CID 16799269
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 16258222

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylsulfonylbenzamide (CID 9106498) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylsulfonylbenzamide is CS(=O)(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylsulfonylbenzamide?
The InChIKey is BMOCJSHEKDJYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3S/c1-25(23,24)15-5-3-2-4-12(15)16(22)20-13-8-11(17)6-7-14(13)21-10-18-9-19-21/h2-10H,1H3,(H,20,22).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylsulfonylbenzamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylsulfonylbenzamide has a molecular weight of 376.83 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 9106498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).