4-chloro-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-2-sulfonamide

C9H8ClF2N3O2S2 — CID 167895917

IUPAC4-chloro-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-2-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2cc(Cl)cs2)c(C(F)F)n1
InChIInChI=1S/C9H8ClF2N3O2S2/c1-15-3-6(8(13-15)9(11)12)14-19(16,17)7-2-5(10)4-18-7/h2-4,9,14H,1H3
InChIKeyPIDIUPWEUOTNFL-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.87
Rot. Bonds4

About 4-chloro-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-2-sulfonamide

4-chloro-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-2-sulfonamide (PubChem CID 167895917) has the molecular formula C9H8ClF2N3O2S2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 4-chloro-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-2-sulfonamide
PubChem CID167895917
Molecular FormulaC9H8ClF2N3O2S2
Molecular Weight327.77 g/mol
Exact Mass326.97
IUPAC Name4-chloro-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-2-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2cc(Cl)cs2)c(C(F)F)n1
InChIInChI=1S/C9H8ClF2N3O2S2/c1-15-3-6(8(13-15)9(11)12)14-19(16,17)7-2-5(10)4-18-7/h2-4,9,14H,1H3
InChIKeyPIDIUPWEUOTNFL-UHFFFAOYSA-N
XLogP2.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 4-chloro-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-2-sulfonamide (CID 167895917) is 4-chloro-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 4-chloro-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-2-sulfonamide is Cn1cc(NS(=O)(=O)c2cc(Cl)cs2)c(C(F)F)n1.
What is the InChIKey of 4-chloro-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is PIDIUPWEUOTNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2N3O2S2/c1-15-3-6(8(13-15)9(11)12)14-19(16,17)7-2-5(10)4-18-7/h2-4,9,14H,1H3.
What are the key properties of 4-chloro-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-2-sulfonamide?
4-chloro-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 327.77 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 167895917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).