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

C15H16ClF2N3O3S — CID 19931840

IUPAC4-chloro-3-(2,3-difluorophenyl)sulfonyl-N-ethyl-N-propylpyrazole-1-carboxamide
SMILESCCCN(CC)C(=O)n1cc(Cl)c(S(=O)(=O)c2cccc(F)c2F)n1
InChIInChI=1S/C15H16ClF2N3O3S/c1-3-8-20(4-2)15(22)21-9-10(16)14(19-21)25(23,24)12-7-5-6-11(17)13(12)18/h5-7,9H,3-4,8H2,1-2H3
InChIKeyCPJJOAOIXOMIPN-UHFFFAOYSA-N
MW391.83 g/mol
LogP3.35
Rot. Bonds5

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

4-chloro-3-(2,3-difluorophenyl)sulfonyl-N-ethyl-N-propylpyrazole-1-carboxamide (PubChem CID 19931840) has the molecular formula C15H16ClF2N3O3S and a molecular weight of 391.83 g/mol. Its IUPAC name is 4-chloro-3-(2,3-difluorophenyl)sulfonyl-N-ethyl-N-propylpyrazole-1-carboxamide.

Molecular Properties

Compound Name4-chloro-3-(2,3-difluorophenyl)sulfonyl-N-ethyl-N-propylpyrazole-1-carboxamide
PubChem CID19931840
Molecular FormulaC15H16ClF2N3O3S
Molecular Weight391.83 g/mol
Exact Mass391.06
IUPAC Name4-chloro-3-(2,3-difluorophenyl)sulfonyl-N-ethyl-N-propylpyrazole-1-carboxamide
SMILESCCCN(CC)C(=O)n1cc(Cl)c(S(=O)(=O)c2cccc(F)c2F)n1
InChIInChI=1S/C15H16ClF2N3O3S/c1-3-8-20(4-2)15(22)21-9-10(16)14(19-21)25(23,24)12-7-5-6-11(17)13(12)18/h5-7,9H,3-4,8H2,1-2H3
InChIKeyCPJJOAOIXOMIPN-UHFFFAOYSA-N
XLogP3.35
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,3-difluorophenyl)sulfonyl-N-ethyl-N-propylpyrazole-1-carboxamide?
The IUPAC name of 4-chloro-3-(2,3-difluorophenyl)sulfonyl-N-ethyl-N-propylpyrazole-1-carboxamide (CID 19931840) is 4-chloro-3-(2,3-difluorophenyl)sulfonyl-N-ethyl-N-propylpyrazole-1-carboxamide.
What is the SMILES notation for 4-chloro-3-(2,3-difluorophenyl)sulfonyl-N-ethyl-N-propylpyrazole-1-carboxamide?
The canonical SMILES for 4-chloro-3-(2,3-difluorophenyl)sulfonyl-N-ethyl-N-propylpyrazole-1-carboxamide is CCCN(CC)C(=O)n1cc(Cl)c(S(=O)(=O)c2cccc(F)c2F)n1.
What is the InChIKey of 4-chloro-3-(2,3-difluorophenyl)sulfonyl-N-ethyl-N-propylpyrazole-1-carboxamide?
The InChIKey is CPJJOAOIXOMIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O3S/c1-3-8-20(4-2)15(22)21-9-10(16)14(19-21)25(23,24)12-7-5-6-11(17)13(12)18/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 4-chloro-3-(2,3-difluorophenyl)sulfonyl-N-ethyl-N-propylpyrazole-1-carboxamide?
4-chloro-3-(2,3-difluorophenyl)sulfonyl-N-ethyl-N-propylpyrazole-1-carboxamide has a molecular weight of 391.83 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,3-difluorophenyl)sulfonyl-N-ethyl-N-propylpyrazole-1-carboxamide is sourced from PubChem (CID 19931840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).