4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide

C12H12ClN3O3S — CID 115629937

IUPAC4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
SMILESCc1cn[nH]c1NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C12H12ClN3O3S/c1-7-6-14-16-11(7)15-12(17)8-3-4-9(13)10(5-8)20(2,18)19/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyIGGHZZOCGPAUFU-UHFFFAOYSA-N
MW313.77 g/mol
LogP2.03
Rot. Bonds3

About 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide

4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide (PubChem CID 115629937) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
PubChem CID115629937
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
SMILESCc1cn[nH]c1NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C12H12ClN3O3S/c1-7-6-14-16-11(7)15-12(17)8-3-4-9(13)10(5-8)20(2,18)19/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyIGGHZZOCGPAUFU-UHFFFAOYSA-N
XLogP2.03
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78927700
4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide
CID 26894430
2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide
CID 115630320
2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691317
4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134009371
N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26691813
4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide
CID 26886366
4-chloro-3-methylsulfonylbenzohydrazide
CID 43091103
4-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-methylsulfonylbenzamide
CID 83097545
N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26239627
4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide
CID 51158895
N-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 113236962

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide (CID 115629937) is 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide is Cc1cn[nH]c1NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide?
The InChIKey is IGGHZZOCGPAUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c1-7-6-14-16-11(7)15-12(17)8-3-4-9(13)10(5-8)20(2,18)19/h3-6H,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide?
4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide has a molecular weight of 313.77 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 115629937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).