3-(2,5-dichlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide

C14H14Cl2FN3O3S — CID 19931883

IUPAC3-(2,5-dichlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cc(F)c(S(=O)(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C14H14Cl2FN3O3S/c1-3-19(4-2)14(21)20-8-11(17)13(18-20)24(22,23)12-7-9(15)5-6-10(12)16/h5-8H,3-4H2,1-2H3
InChIKeyWGKWQFDYJRWXHP-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.47
Rot. Bonds4

About 3-(2,5-dichlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide

3-(2,5-dichlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide (PubChem CID 19931883) has the molecular formula C14H14Cl2FN3O3S and a molecular weight of 394.26 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
PubChem CID19931883
Molecular FormulaC14H14Cl2FN3O3S
Molecular Weight394.26 g/mol
Exact Mass393.01
IUPAC Name3-(2,5-dichlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cc(F)c(S(=O)(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C14H14Cl2FN3O3S/c1-3-19(4-2)14(21)20-8-11(17)13(18-20)24(22,23)12-7-9(15)5-6-10(12)16/h5-8H,3-4H2,1-2H3
InChIKeyWGKWQFDYJRWXHP-UHFFFAOYSA-N
XLogP3.47
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide?
The IUPAC name of 3-(2,5-dichlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide (CID 19931883) is 3-(2,5-dichlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide.
What is the SMILES notation for 3-(2,5-dichlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide?
The canonical SMILES for 3-(2,5-dichlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide is CCN(CC)C(=O)n1cc(F)c(S(=O)(=O)c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 3-(2,5-dichlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide?
The InChIKey is WGKWQFDYJRWXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FN3O3S/c1-3-19(4-2)14(21)20-8-11(17)13(18-20)24(22,23)12-7-9(15)5-6-10(12)16/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-(2,5-dichlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide?
3-(2,5-dichlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide has a molecular weight of 394.26 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide is sourced from PubChem (CID 19931883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).