4-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide

C11H9ClFN3O3S — CID 47271418

IUPAC4-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide
SMILESCn1cc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C11H9ClFN3O3S/c1-16-6-8(5-14-16)20(18,19)15-11(17)9-3-2-7(12)4-10(9)13/h2-6H,1H3,(H,15,17)
InChIKeyIDPWMZVPTXEHJK-UHFFFAOYSA-N
MW317.73 g/mol
LogP1.33
Rot. Bonds3

About 4-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide

4-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide (PubChem CID 47271418) has the molecular formula C11H9ClFN3O3S and a molecular weight of 317.73 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide
PubChem CID47271418
Molecular FormulaC11H9ClFN3O3S
Molecular Weight317.73 g/mol
Exact Mass317.00
IUPAC Name4-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide
SMILESCn1cc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C11H9ClFN3O3S/c1-16-6-8(5-14-16)20(18,19)15-11(17)9-3-2-7(12)4-10(9)13/h2-6H,1H3,(H,15,17)
InChIKeyIDPWMZVPTXEHJK-UHFFFAOYSA-N
XLogP1.33
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 51.33
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
4-chloro-N'-[(1-ethyl-1H-pyrazol-4-yl)methylene]benzohydrazide
CID 5410821
2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride
CID 155568178
4-[(1-Benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
CID 27304169
1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide
CID 51086105
3-(3-fluorophenyl)-2-methyl-N-(1-methylpyrazol-4-yl)sulfonylpropanamide
CID 53581736
N-{[1-(2-fluorobenzoyl)piperidin-4-yl]methyl}-1-methyl-1H-pyrazole-4-sulfonamide
CID 71806888
(2-chloro-6-fluorophenyl)(4-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepan-1-yl)methanone
CID 91629410
3-(2,3-difluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide
CID 53607067
N-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide
CID 71978359
N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 91651388

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide (CID 47271418) is 4-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide is Cn1cc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2F)cn1.
What is the InChIKey of 4-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide?
The InChIKey is IDPWMZVPTXEHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O3S/c1-16-6-8(5-14-16)20(18,19)15-11(17)9-3-2-7(12)4-10(9)13/h2-6H,1H3,(H,15,17).
What are the key properties of 4-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide?
4-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide has a molecular weight of 317.73 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide is sourced from PubChem (CID 47271418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).