N-[4-(5-chlorothiophen-2-yl)-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

C16H13ClF3N3O2S2 — CID 67646710

IUPACN-[4-(5-chlorothiophen-2-yl)-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(Cl)s2)c1C(F)(F)F
InChIInChI=1S/C16H13ClF3N3O2S2/c1-2-23-14(16(18,19)20)13(11-8-9-12(17)26-11)15(21-23)22-27(24,25)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,21,22)
InChIKeyFMOKRKWLFLHKFM-UHFFFAOYSA-N
MW435.88 g/mol
LogP5.10
Rot. Bonds5

About N-[4-(5-chlorothiophen-2-yl)-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

N-[4-(5-chlorothiophen-2-yl)-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 67646710) has the molecular formula C16H13ClF3N3O2S2 and a molecular weight of 435.88 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID67646710
Molecular FormulaC16H13ClF3N3O2S2
Molecular Weight435.88 g/mol
Exact Mass435.01
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(Cl)s2)c1C(F)(F)F
InChIInChI=1S/C16H13ClF3N3O2S2/c1-2-23-14(16(18,19)20)13(11-8-9-12(17)26-11)15(21-23)22-27(24,25)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,21,22)
InChIKeyFMOKRKWLFLHKFM-UHFFFAOYSA-N
XLogP5.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.88
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(5-chlorothiophen-2-yl)-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide 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 N-[4-(5-chlorothiophen-2-yl)-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (CID 67646710) is N-[4-(5-chlorothiophen-2-yl)-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(Cl)s2)c1C(F)(F)F.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is FMOKRKWLFLHKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N3O2S2/c1-2-23-14(16(18,19)20)13(11-8-9-12(17)26-11)15(21-23)22-27(24,25)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,21,22).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
N-[4-(5-chlorothiophen-2-yl)-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 435.88 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67646710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).