4-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide

C19H19F2N3O2S — CID 19355591

IUPAC4-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCCn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(C)cc2)c1C(F)F
InChIInChI=1S/C19H19F2N3O2S/c1-3-24-18(19(20)21)16(13-6-4-12(2)5-7-13)17(23-24)14-8-10-15(11-9-14)27(22,25)26/h4-11,19H,3H2,1-2H3,(H2,22,25,26)
InChIKeyYZROXVOQSQYJII-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.13
Rot. Bonds5

About 4-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide

4-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 19355591) has the molecular formula C19H19F2N3O2S and a molecular weight of 391.44 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID19355591
Molecular FormulaC19H19F2N3O2S
Molecular Weight391.44 g/mol
Exact Mass391.12
IUPAC Name4-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCCn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(C)cc2)c1C(F)F
InChIInChI=1S/C19H19F2N3O2S/c1-3-24-18(19(20)21)16(13-6-4-12(2)5-7-13)17(23-24)14-8-10-15(11-9-14)27(22,25)26/h4-11,19H,3H2,1-2H3,(H2,22,25,26)
InChIKeyYZROXVOQSQYJII-UHFFFAOYSA-N
XLogP4.13
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)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

Related Compounds

4-[1-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 19355442
4-[1-ethyl-4-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 19355919
4-[5-cyano-4-(4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide
CID 54126878
4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
CID 19355971
1-benzyl-4-(4-methylphenyl)-N-phenyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide
CID 19355610
4-[4-(4-methylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide
CID 173275789
bis(4-methylbenzenesulfonamide);selane
CID 173300479
methane;4-methylbenzenesulfonamide
CID 66673954
4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide
CID 19355267
4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 169097295
4-[1-(3-hydroxypropyl)-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 19355617
4-[3-(difluoromethyl)-1-(4-methylthiophen-2-yl)-4-phenylpyrazol-5-yl]benzenesulfonamide
CID 67685592

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide (CID 19355591) is 4-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide is CCn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(C)cc2)c1C(F)F.
What is the InChIKey of 4-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is YZROXVOQSQYJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2S/c1-3-24-18(19(20)21)16(13-6-4-12(2)5-7-13)17(23-24)14-8-10-15(11-9-14)27(22,25)26/h4-11,19H,3H2,1-2H3,(H2,22,25,26).
What are the key properties of 4-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
4-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 391.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 19355591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).