N-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C17H13ClF3N3O2S — CID 23209775

IUPACN-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C17H13ClF3N3O2S/c1-11-7-8-12(9-14(11)18)15-10-16(17(19,20)21)22-24(15)23-27(25,26)13-5-3-2-4-6-13/h2-10,23H,1H3
InChIKeyDYBOGDGSRBIFDZ-UHFFFAOYSA-N
MW415.82 g/mol
LogP4.46
Rot. Bonds4

About N-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

N-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 23209775) has the molecular formula C17H13ClF3N3O2S and a molecular weight of 415.82 g/mol. Its IUPAC name is N-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID23209775
Molecular FormulaC17H13ClF3N3O2S
Molecular Weight415.82 g/mol
Exact Mass415.04
IUPAC NameN-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C17H13ClF3N3O2S/c1-11-7-8-12(9-14(11)18)15-10-16(17(19,20)21)22-24(15)23-27(25,26)13-5-3-2-4-6-13/h2-10,23H,1H3
InChIKeyDYBOGDGSRBIFDZ-UHFFFAOYSA-N
XLogP4.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.82
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2-Chloro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10222707
4-[5-(2,5-Dichloro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10526904
4-[5-(2'-Methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl] benzenesulfonamide
CID 23209725
1-(4-Chlorophenyl)sulfonyl-4-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazole
CID 2805271
1-(Benzenesulfonyl)-4-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazole
CID 2804841
1-[3,5-Bis(trifluoromethyl)phenyl]sulfonyl-4-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazole
CID 2805273
1-[3,5-Bis(trifluoromethyl)phenyl]sulfonyl-4-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazole
CID 2804839
4-[5-(2-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10136628
4-[5-(3-Chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10157908
4-[5-(3,5-Dichloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 11568618
4-[5-(4-Chloro-3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 11582417
N-[3-(fluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
CID 17870237

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 23209775) is N-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is Cc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is DYBOGDGSRBIFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O2S/c1-11-7-8-12(9-14(11)18)15-10-16(17(19,20)21)22-24(15)23-27(25,26)13-5-3-2-4-6-13/h2-10,23H,1H3.
What are the key properties of N-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
N-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 415.82 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 23209775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).