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

C14H15ClFN3O3S — CID 19931823

IUPAC3-(2-chlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cc(F)c(S(=O)(=O)c2ccccc2Cl)n1
InChIInChI=1S/C14H15ClFN3O3S/c1-3-18(4-2)14(20)19-9-11(16)13(17-19)23(21,22)12-8-6-5-7-10(12)15/h5-9H,3-4H2,1-2H3
InChIKeyJYSXQUQZCGCXAG-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.82
Rot. Bonds4

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

3-(2-chlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide (PubChem CID 19931823) has the molecular formula C14H15ClFN3O3S and a molecular weight of 359.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
PubChem CID19931823
Molecular FormulaC14H15ClFN3O3S
Molecular Weight359.81 g/mol
Exact Mass359.05
IUPAC Name3-(2-chlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cc(F)c(S(=O)(=O)c2ccccc2Cl)n1
InChIInChI=1S/C14H15ClFN3O3S/c1-3-18(4-2)14(20)19-9-11(16)13(17-19)23(21,22)12-8-6-5-7-10(12)15/h5-9H,3-4H2,1-2H3
InChIKeyJYSXQUQZCGCXAG-UHFFFAOYSA-N
XLogP2.82
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-chlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide (CID 19931823) is 3-(2-chlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide is CCN(CC)C(=O)n1cc(F)c(S(=O)(=O)c2ccccc2Cl)n1.
What is the InChIKey of 3-(2-chlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide?
The InChIKey is JYSXQUQZCGCXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O3S/c1-3-18(4-2)14(20)19-9-11(16)13(17-19)23(21,22)12-8-6-5-7-10(12)15/h5-9H,3-4H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide?
3-(2-chlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide has a molecular weight of 359.81 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide is sourced from PubChem (CID 19931823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).