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

C11H9ClFN3O3S — CID 47271422

IUPAC5-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide
SMILESCn1cc(S(=O)(=O)NC(=O)c2cc(Cl)ccc2F)cn1
InChIInChI=1S/C11H9ClFN3O3S/c1-16-6-8(5-14-16)20(18,19)15-11(17)9-4-7(12)2-3-10(9)13/h2-6H,1H3,(H,15,17)
InChIKeyLYWHGGZBILMTPX-UHFFFAOYSA-N
MW317.73 g/mol
LogP1.33
Rot. Bonds3

About 5-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide

5-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide (PubChem CID 47271422) has the molecular formula C11H9ClFN3O3S and a molecular weight of 317.73 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide
PubChem CID47271422
Molecular FormulaC11H9ClFN3O3S
Molecular Weight317.73 g/mol
Exact Mass317.00
IUPAC Name5-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide
SMILESCn1cc(S(=O)(=O)NC(=O)c2cc(Cl)ccc2F)cn1
InChIInChI=1S/C11H9ClFN3O3S/c1-16-6-8(5-14-16)20(18,19)15-11(17)9-4-7(12)2-3-10(9)13/h2-6H,1H3,(H,15,17)
InChIKeyLYWHGGZBILMTPX-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide (CID 47271422) is 5-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide is Cn1cc(S(=O)(=O)NC(=O)c2cc(Cl)ccc2F)cn1.
What is the InChIKey of 5-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide?
The InChIKey is LYWHGGZBILMTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O3S/c1-16-6-8(5-14-16)20(18,19)15-11(17)9-4-7(12)2-3-10(9)13/h2-6H,1H3,(H,15,17).
What are the key properties of 5-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide?
5-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 5-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide is sourced from PubChem (CID 47271422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).