4-chloro-N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzenesulfonamide

C19H17ClF3N3O2S — CID 15985981

IUPAC4-chloro-N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)n(Cc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17ClF3N3O2S/c1-12-9-13(2)26(24-12)11-14-3-4-15(19(21,22)23)10-18(14)25-29(27,28)17-7-5-16(20)6-8-17/h3-10,25H,11H2,1-2H3
InChIKeyHMHYOXVYXVHCTN-UHFFFAOYSA-N
MW443.88 g/mol
LogP5.02
Rot. Bonds5

About 4-chloro-N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzenesulfonamide

4-chloro-N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 15985981) has the molecular formula C19H17ClF3N3O2S and a molecular weight of 443.88 g/mol. Its IUPAC name is 4-chloro-N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID15985981
Molecular FormulaC19H17ClF3N3O2S
Molecular Weight443.88 g/mol
Exact Mass443.07
IUPAC Name4-chloro-N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)n(Cc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17ClF3N3O2S/c1-12-9-13(2)26(24-12)11-14-3-4-15(19(21,22)23)10-18(14)25-29(27,28)17-7-5-16(20)6-8-17/h3-10,25H,11H2,1-2H3
InChIKeyHMHYOXVYXVHCTN-UHFFFAOYSA-N
XLogP5.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.88
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 15985981) is 4-chloro-N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1cc(C)n(Cc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is HMHYOXVYXVHCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O2S/c1-12-9-13(2)26(24-12)11-14-3-4-15(19(21,22)23)10-18(14)25-29(27,28)17-7-5-16(20)6-8-17/h3-10,25H,11H2,1-2H3.
What are the key properties of 4-chloro-N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzenesulfonamide?
4-chloro-N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 443.88 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 15985981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).