2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide

C14H15Cl2F2N3O2S — CID 166336403

IUPAC2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(C)nn(CC(F)F)c2C)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2F2N3O2S/c1-7-4-12(11(16)5-10(7)15)24(22,23)20-14-8(2)19-21(9(14)3)6-13(17)18/h4-5,13,20H,6H2,1-3H3
InChIKeyRUBOCBGBWKTAEP-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.18
Rot. Bonds5

About 2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide

2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide (PubChem CID 166336403) has the molecular formula C14H15Cl2F2N3O2S and a molecular weight of 398.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide
PubChem CID166336403
Molecular FormulaC14H15Cl2F2N3O2S
Molecular Weight398.26 g/mol
Exact Mass397.02
IUPAC Name2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(C)nn(CC(F)F)c2C)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2F2N3O2S/c1-7-4-12(11(16)5-10(7)15)24(22,23)20-14-8(2)19-21(9(14)3)6-13(17)18/h4-5,13,20H,6H2,1-3H3
InChIKeyRUBOCBGBWKTAEP-UHFFFAOYSA-N
XLogP4.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide 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

2,4,5-trichloro-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 22205236
2,4,5-trichloro-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide
CID 22202034
2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide
CID 166336393
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 17022898
2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide
CID 166316508
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22202286
2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide
CID 4585560
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22202376
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethylbenzenesulfonamide
CID 22202959
2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide
CID 163351549
2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135483
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide
CID 22202446

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide (CID 166336403) is 2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2c(C)nn(CC(F)F)c2C)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide?
The InChIKey is RUBOCBGBWKTAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2F2N3O2S/c1-7-4-12(11(16)5-10(7)15)24(22,23)20-14-8(2)19-21(9(14)3)6-13(17)18/h4-5,13,20H,6H2,1-3H3.
What are the key properties of 2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide?
2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide has a molecular weight of 398.26 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 166336403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).