N-(4-chlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide

C15H11ClF3N3O2S2 — CID 59633051

IUPACN-(4-chlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCn1nc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)s2)cc1C(F)(F)F
InChIInChI=1S/C15H11ClF3N3O2S2/c1-22-13(15(17,18)19)8-11(20-22)12-6-7-14(25-12)26(23,24)21-10-4-2-9(16)3-5-10/h2-8,21H,1H3
InChIKeyGKWRFRTUAXGZSU-UHFFFAOYSA-N
MW421.85 g/mol
LogP4.62
Rot. Bonds4

About N-(4-chlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide

N-(4-chlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 59633051) has the molecular formula C15H11ClF3N3O2S2 and a molecular weight of 421.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID59633051
Molecular FormulaC15H11ClF3N3O2S2
Molecular Weight421.85 g/mol
Exact Mass420.99
IUPAC NameN-(4-chlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCn1nc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)s2)cc1C(F)(F)F
InChIInChI=1S/C15H11ClF3N3O2S2/c1-22-13(15(17,18)19)8-11(20-22)12-6-7-14(25-12)26(23,24)21-10-4-2-9(16)3-5-10/h2-8,21H,1H3
InChIKeyGKWRFRTUAXGZSU-UHFFFAOYSA-N
XLogP4.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.85
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide (CID 59633051) is N-(4-chlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide is Cn1nc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)s2)cc1C(F)(F)F.
What is the InChIKey of N-(4-chlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is GKWRFRTUAXGZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O2S2/c1-22-13(15(17,18)19)8-11(20-22)12-6-7-14(25-12)26(23,24)21-10-4-2-9(16)3-5-10/h2-8,21H,1H3.
What are the key properties of N-(4-chlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
N-(4-chlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 421.85 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 59633051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).