4-chloro-3-(2,4-difluorophenyl)sulfonyl-N-ethyl-N-methylpyrazole-1-carboxamide

C13H12ClF2N3O3S — CID 19931859

IUPAC4-chloro-3-(2,4-difluorophenyl)sulfonyl-N-ethyl-N-methylpyrazole-1-carboxamide
SMILESCCN(C)C(=O)n1cc(Cl)c(S(=O)(=O)c2ccc(F)cc2F)n1
InChIInChI=1S/C13H12ClF2N3O3S/c1-3-18(2)13(20)19-7-9(14)12(17-19)23(21,22)11-5-4-8(15)6-10(11)16/h4-7H,3H2,1-2H3
InChIKeyNRFFHXMSUNUZTP-UHFFFAOYSA-N
MW363.77 g/mol
LogP2.57
Rot. Bonds3

About 4-chloro-3-(2,4-difluorophenyl)sulfonyl-N-ethyl-N-methylpyrazole-1-carboxamide

4-chloro-3-(2,4-difluorophenyl)sulfonyl-N-ethyl-N-methylpyrazole-1-carboxamide (PubChem CID 19931859) has the molecular formula C13H12ClF2N3O3S and a molecular weight of 363.77 g/mol. Its IUPAC name is 4-chloro-3-(2,4-difluorophenyl)sulfonyl-N-ethyl-N-methylpyrazole-1-carboxamide.

Molecular Properties

Compound Name4-chloro-3-(2,4-difluorophenyl)sulfonyl-N-ethyl-N-methylpyrazole-1-carboxamide
PubChem CID19931859
Molecular FormulaC13H12ClF2N3O3S
Molecular Weight363.77 g/mol
Exact Mass363.03
IUPAC Name4-chloro-3-(2,4-difluorophenyl)sulfonyl-N-ethyl-N-methylpyrazole-1-carboxamide
SMILESCCN(C)C(=O)n1cc(Cl)c(S(=O)(=O)c2ccc(F)cc2F)n1
InChIInChI=1S/C13H12ClF2N3O3S/c1-3-18(2)13(20)19-7-9(14)12(17-19)23(21,22)11-5-4-8(15)6-10(11)16/h4-7H,3H2,1-2H3
InChIKeyNRFFHXMSUNUZTP-UHFFFAOYSA-N
XLogP2.57
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.77
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,4-difluorophenyl)sulfonyl-N-ethyl-N-methylpyrazole-1-carboxamide?
The IUPAC name of 4-chloro-3-(2,4-difluorophenyl)sulfonyl-N-ethyl-N-methylpyrazole-1-carboxamide (CID 19931859) is 4-chloro-3-(2,4-difluorophenyl)sulfonyl-N-ethyl-N-methylpyrazole-1-carboxamide.
What is the SMILES notation for 4-chloro-3-(2,4-difluorophenyl)sulfonyl-N-ethyl-N-methylpyrazole-1-carboxamide?
The canonical SMILES for 4-chloro-3-(2,4-difluorophenyl)sulfonyl-N-ethyl-N-methylpyrazole-1-carboxamide is CCN(C)C(=O)n1cc(Cl)c(S(=O)(=O)c2ccc(F)cc2F)n1.
What is the InChIKey of 4-chloro-3-(2,4-difluorophenyl)sulfonyl-N-ethyl-N-methylpyrazole-1-carboxamide?
The InChIKey is NRFFHXMSUNUZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N3O3S/c1-3-18(2)13(20)19-7-9(14)12(17-19)23(21,22)11-5-4-8(15)6-10(11)16/h4-7H,3H2,1-2H3.
What are the key properties of 4-chloro-3-(2,4-difluorophenyl)sulfonyl-N-ethyl-N-methylpyrazole-1-carboxamide?
4-chloro-3-(2,4-difluorophenyl)sulfonyl-N-ethyl-N-methylpyrazole-1-carboxamide has a molecular weight of 363.77 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,4-difluorophenyl)sulfonyl-N-ethyl-N-methylpyrazole-1-carboxamide is sourced from PubChem (CID 19931859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).