2-chloro-6-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide

C11H10ClFN4O3S — CID 61132031

IUPAC2-chloro-6-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
SMILESCn1cc(S(N)(=O)=O)c(NC(=O)c2c(F)cccc2Cl)n1
InChIInChI=1S/C11H10ClFN4O3S/c1-17-5-8(21(14,19)20)10(16-17)15-11(18)9-6(12)3-2-4-7(9)13/h2-5H,1H3,(H2,14,19,20)(H,15,16,18)
InChIKeyXEPKILLAQROORT-UHFFFAOYSA-N
MW332.74 g/mol
LogP1.11
Rot. Bonds3

About 2-chloro-6-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide

2-chloro-6-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide (PubChem CID 61132031) has the molecular formula C11H10ClFN4O3S and a molecular weight of 332.74 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
PubChem CID61132031
Molecular FormulaC11H10ClFN4O3S
Molecular Weight332.74 g/mol
Exact Mass332.01
IUPAC Name2-chloro-6-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
SMILESCn1cc(S(N)(=O)=O)c(NC(=O)c2c(F)cccc2Cl)n1
InChIInChI=1S/C11H10ClFN4O3S/c1-17-5-8(21(14,19)20)10(16-17)15-11(18)9-6(12)3-2-4-7(9)13/h2-5H,1H3,(H2,14,19,20)(H,15,16,18)
InChIKeyXEPKILLAQROORT-UHFFFAOYSA-N
XLogP1.11
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide (CID 61132031) is 2-chloro-6-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide is Cn1cc(S(N)(=O)=O)c(NC(=O)c2c(F)cccc2Cl)n1.
What is the InChIKey of 2-chloro-6-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
The InChIKey is XEPKILLAQROORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O3S/c1-17-5-8(21(14,19)20)10(16-17)15-11(18)9-6(12)3-2-4-7(9)13/h2-5H,1H3,(H2,14,19,20)(H,15,16,18).
What are the key properties of 2-chloro-6-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
2-chloro-6-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide has a molecular weight of 332.74 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide is sourced from PubChem (CID 61132031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).