3-chloro-N-(1-ethylpyrazol-4-yl)sulfonyl-2-methylbenzamide

C13H14ClN3O3S — CID 100700833

IUPAC3-chloro-N-(1-ethylpyrazol-4-yl)sulfonyl-2-methylbenzamide
SMILESCCn1cc(S(=O)(=O)NC(=O)c2cccc(Cl)c2C)cn1
InChIInChI=1S/C13H14ClN3O3S/c1-3-17-8-10(7-15-17)21(19,20)16-13(18)11-5-4-6-12(14)9(11)2/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyJMJSSWSKUSDJIR-UHFFFAOYSA-N
MW327.79 g/mol
LogP1.98
Rot. Bonds4

About 3-chloro-N-(1-ethylpyrazol-4-yl)sulfonyl-2-methylbenzamide

3-chloro-N-(1-ethylpyrazol-4-yl)sulfonyl-2-methylbenzamide (PubChem CID 100700833) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is 3-chloro-N-(1-ethylpyrazol-4-yl)sulfonyl-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-ethylpyrazol-4-yl)sulfonyl-2-methylbenzamide
PubChem CID100700833
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC Name3-chloro-N-(1-ethylpyrazol-4-yl)sulfonyl-2-methylbenzamide
SMILESCCn1cc(S(=O)(=O)NC(=O)c2cccc(Cl)c2C)cn1
InChIInChI=1S/C13H14ClN3O3S/c1-3-17-8-10(7-15-17)21(19,20)16-13(18)11-5-4-6-12(14)9(11)2/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyJMJSSWSKUSDJIR-UHFFFAOYSA-N
XLogP1.98
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-((4-(cyclopropylmethyl)-1-(1-methyl-1H-pyrazol-4-ylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 11656017
2,4-dichloro-N-((3-(cyclopropylmethyl)-1-(1-methyl-1H-pyrazol-4-ylsulfonyl)azetidin-3-yl)methyl)benzamide
CID 44591699
1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide
CID 51086105
(2-chloro-6-fluorophenyl)(4-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepan-1-yl)methanone
CID 91629410
5-chloro-2-[(1-ethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide
CID 177662824
5-chloro-N-methyl-2-[[1-(2-methylpropyl)pyrazol-4-yl]sulfonylamino]benzamide
CID 177663099
(3-chlorophenyl)(4-{[1-(difluoromethyl)-1H-pyrazol-4-yl]sulfonyl}piperazin-1-yl)methanone
CID 19614798
4-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide
CID 47271418
3-fluoro-4-methyl-N-(1-methylpyrazol-4-yl)sulfonylbenzamide
CID 47271421
5-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide
CID 47271422
2-chloro-4-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129235
2-chloro-6-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61132031

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-ethylpyrazol-4-yl)sulfonyl-2-methylbenzamide?
The IUPAC name of 3-chloro-N-(1-ethylpyrazol-4-yl)sulfonyl-2-methylbenzamide (CID 100700833) is 3-chloro-N-(1-ethylpyrazol-4-yl)sulfonyl-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(1-ethylpyrazol-4-yl)sulfonyl-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-(1-ethylpyrazol-4-yl)sulfonyl-2-methylbenzamide is CCn1cc(S(=O)(=O)NC(=O)c2cccc(Cl)c2C)cn1.
What is the InChIKey of 3-chloro-N-(1-ethylpyrazol-4-yl)sulfonyl-2-methylbenzamide?
The InChIKey is JMJSSWSKUSDJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-3-17-8-10(7-15-17)21(19,20)16-13(18)11-5-4-6-12(14)9(11)2/h4-8H,3H2,1-2H3,(H,16,18).
What are the key properties of 3-chloro-N-(1-ethylpyrazol-4-yl)sulfonyl-2-methylbenzamide?
3-chloro-N-(1-ethylpyrazol-4-yl)sulfonyl-2-methylbenzamide has a molecular weight of 327.79 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-ethylpyrazol-4-yl)sulfonyl-2-methylbenzamide is sourced from PubChem (CID 100700833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).