N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-1-methylpyrazole-4-carboxamide

C12H11ClFN3O3S — CID 75381412

IUPACN-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-1-methylpyrazole-4-carboxamide
SMILESCc1cc(S(=O)(=O)NC(=O)c2cnn(C)c2)c(Cl)cc1F
InChIInChI=1S/C12H11ClFN3O3S/c1-7-3-11(9(13)4-10(7)14)21(19,20)16-12(18)8-5-15-17(2)6-8/h3-6H,1-2H3,(H,16,18)
InChIKeyLBTJEPXYUOBKKJ-UHFFFAOYSA-N
MW331.76 g/mol
LogP1.64
Rot. Bonds3

About N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-1-methylpyrazole-4-carboxamide

N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-1-methylpyrazole-4-carboxamide (PubChem CID 75381412) has the molecular formula C12H11ClFN3O3S and a molecular weight of 331.76 g/mol. Its IUPAC name is N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-1-methylpyrazole-4-carboxamide
PubChem CID75381412
Molecular FormulaC12H11ClFN3O3S
Molecular Weight331.76 g/mol
Exact Mass331.02
IUPAC NameN-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-1-methylpyrazole-4-carboxamide
SMILESCc1cc(S(=O)(=O)NC(=O)c2cnn(C)c2)c(Cl)cc1F
InChIInChI=1S/C12H11ClFN3O3S/c1-7-3-11(9(13)4-10(7)14)21(19,20)16-12(18)8-5-15-17(2)6-8/h3-6H,1-2H3,(H,16,18)
InChIKeyLBTJEPXYUOBKKJ-UHFFFAOYSA-N
XLogP1.64
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-1-methylpyrazole-4-carboxamide (CID 75381412) is N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-1-methylpyrazole-4-carboxamide is Cc1cc(S(=O)(=O)NC(=O)c2cnn(C)c2)c(Cl)cc1F.
What is the InChIKey of N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-1-methylpyrazole-4-carboxamide?
The InChIKey is LBTJEPXYUOBKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O3S/c1-7-3-11(9(13)4-10(7)14)21(19,20)16-12(18)8-5-15-17(2)6-8/h3-6H,1-2H3,(H,16,18).
What are the key properties of N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-1-methylpyrazole-4-carboxamide?
N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-1-methylpyrazole-4-carboxamide has a molecular weight of 331.76 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 75381412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).