4-chloro-N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide

C17H19ClF3N3O2S — CID 153326503

IUPAC4-chloro-N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESC=CCn1nc(C)c(CN(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1C
InChIInChI=1S/C17H19ClF3N3O2S/c1-5-8-24-12(3)14(11(2)22-24)10-23(4)27(25,26)13-6-7-16(18)15(9-13)17(19,20)21/h5-7,9H,1,8,10H2,2-4H3
InChIKeyMXCNASJFJCCXDL-UHFFFAOYSA-N
MW421.87 g/mol
LogP4.18
Rot. Bonds6

About 4-chloro-N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 153326503) has the molecular formula C17H19ClF3N3O2S and a molecular weight of 421.87 g/mol. Its IUPAC name is 4-chloro-N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID153326503
Molecular FormulaC17H19ClF3N3O2S
Molecular Weight421.87 g/mol
Exact Mass421.08
IUPAC Name4-chloro-N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESC=CCn1nc(C)c(CN(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1C
InChIInChI=1S/C17H19ClF3N3O2S/c1-5-8-24-12(3)14(11(2)22-24)10-23(4)27(25,26)13-6-7-16(18)15(9-13)17(19,20)21/h5-7,9H,1,8,10H2,2-4H3
InChIKeyMXCNASJFJCCXDL-UHFFFAOYSA-N
XLogP4.18
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.87
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-chloro-N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)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-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide (CID 153326503) is 4-chloro-N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide is C=CCn1nc(C)c(CN(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1C.
What is the InChIKey of 4-chloro-N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MXCNASJFJCCXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF3N3O2S/c1-5-8-24-12(3)14(11(2)22-24)10-23(4)27(25,26)13-6-7-16(18)15(9-13)17(19,20)21/h5-7,9H,1,8,10H2,2-4H3.
What are the key properties of 4-chloro-N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 421.87 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 153326503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).