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

C18H17F2N3O2S — CID 10643308

IUPAC4-[3-(difluoromethyl)-5-(2,5-dimethylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(C)c(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H17F2N3O2S/c1-11-3-4-12(2)15(9-11)17-10-16(18(19)20)22-23(17)13-5-7-14(8-6-13)26(21,24)25/h3-10,18H,1-2H3,(H2,21,24,25)
InChIKeyFBYPIMFHTBKQTE-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.74
Rot. Bonds4

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

4-[3-(difluoromethyl)-5-(2,5-dimethylphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10643308) has the molecular formula C18H17F2N3O2S and a molecular weight of 377.42 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-5-(2,5-dimethylphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-5-(2,5-dimethylphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10643308
Molecular FormulaC18H17F2N3O2S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name4-[3-(difluoromethyl)-5-(2,5-dimethylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(C)c(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H17F2N3O2S/c1-11-3-4-12(2)15(9-11)17-10-16(18(19)20)22-23(17)13-5-7-14(8-6-13)26(21,24)25/h3-10,18H,1-2H3,(H2,21,24,25)
InChIKeyFBYPIMFHTBKQTE-UHFFFAOYSA-N
XLogP3.74
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-5-(2,5-dimethylphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(difluoromethyl)-5-(2,5-dimethylphenyl)pyrazol-1-yl]benzenesulfonamide (CID 10643308) is 4-[3-(difluoromethyl)-5-(2,5-dimethylphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(difluoromethyl)-5-(2,5-dimethylphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(difluoromethyl)-5-(2,5-dimethylphenyl)pyrazol-1-yl]benzenesulfonamide is Cc1ccc(C)c(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[3-(difluoromethyl)-5-(2,5-dimethylphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is FBYPIMFHTBKQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2S/c1-11-3-4-12(2)15(9-11)17-10-16(18(19)20)22-23(17)13-5-7-14(8-6-13)26(21,24)25/h3-10,18H,1-2H3,(H2,21,24,25).
What are the key properties of 4-[3-(difluoromethyl)-5-(2,5-dimethylphenyl)pyrazol-1-yl]benzenesulfonamide?
4-[3-(difluoromethyl)-5-(2,5-dimethylphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 377.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-5-(2,5-dimethylphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10643308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).