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

C17H14F3N3O2S — CID 23209725

IUPACN-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H14F3N3O2S/c1-12-7-9-13(10-8-12)15-11-16(17(18,19)20)21-23(15)22-26(24,25)14-5-3-2-4-6-14/h2-11,22H,1H3
InChIKeyYMHCLDZSKBTHAV-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.81
Rot. Bonds4

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

N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 23209725) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID23209725
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC NameN-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H14F3N3O2S/c1-12-7-9-13(10-8-12)15-11-16(17(18,19)20)21-23(15)22-26(24,25)14-5-3-2-4-6-14/h2-11,22H,1H3
InChIKeyYMHCLDZSKBTHAV-UHFFFAOYSA-N
XLogP3.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 23209725) is N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is Cc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is YMHCLDZSKBTHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-12-7-9-13(10-8-12)15-11-16(17(18,19)20)21-23(15)22-26(24,25)14-5-3-2-4-6-14/h2-11,22H,1H3.
What are the key properties of N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 381.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 23209725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).