4-[3-(difluoromethyl)-5-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide

C15H13F2N3O2S2 — CID 22315372

IUPAC4-[3-(difluoromethyl)-5-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1csc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H13F2N3O2S2/c1-9-6-14(23-8-9)13-7-12(15(16)17)19-20(13)10-2-4-11(5-3-10)24(18,21)22/h2-8,15H,1H3,(H2,18,21,22)
InChIKeyNSPIOLCRGFDTFV-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.49
Rot. Bonds4

About 4-[3-(difluoromethyl)-5-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide

4-[3-(difluoromethyl)-5-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 22315372) has the molecular formula C15H13F2N3O2S2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-5-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-5-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
PubChem CID22315372
Molecular FormulaC15H13F2N3O2S2
Molecular Weight369.42 g/mol
Exact Mass369.04
IUPAC Name4-[3-(difluoromethyl)-5-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1csc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H13F2N3O2S2/c1-9-6-14(23-8-9)13-7-12(15(16)17)19-20(13)10-2-4-11(5-3-10)24(18,21)22/h2-8,15H,1H3,(H2,18,21,22)
InChIKeyNSPIOLCRGFDTFV-UHFFFAOYSA-N
XLogP3.49
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(3-Trifluoromethyl-4H-thiochromeno[4,3-c]pyrazol-1-yl)-benzenesulfonamide
CID 15345559
4-Desmethyl-2-methyl Celecoxib
CID 10156660
5-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]-thiophene-2-sulfonamide
CID 2820380
Desmethyl Celecoxib
CID 6426663
methyl N-4-(5-(thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenylsulfonylpyrrolidine-1-carbimidothioate
CID 5854591
4-(3-Difluoromethyl-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 9841276
4-(3-Difluoromethyl-5-p-tolyl-pyrazol-1-yl)-benzenesulfonamide
CID 9885354
4-[5-(4-Ethyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9908677
4-[5-(4-Chloro-phenyl)-3-(5-chloro-thiophen-2-yl)-pyrazol-1-yl]-benzenesulfonamide
CID 9933456

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-5-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(difluoromethyl)-5-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide (CID 22315372) is 4-[3-(difluoromethyl)-5-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(difluoromethyl)-5-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(difluoromethyl)-5-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide is Cc1csc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[3-(difluoromethyl)-5-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is NSPIOLCRGFDTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O2S2/c1-9-6-14(23-8-9)13-7-12(15(16)17)19-20(13)10-2-4-11(5-3-10)24(18,21)22/h2-8,15H,1H3,(H2,18,21,22).
What are the key properties of 4-[3-(difluoromethyl)-5-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide?
4-[3-(difluoromethyl)-5-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 369.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-5-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22315372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).