2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C17H13ClF3N3O3S — CID 67662512

IUPAC2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2S(N)(=O)=O)cc1Cl
InChIInChI=1S/C17H13ClF3N3O3S/c1-27-14-7-6-10(8-11(14)18)13-9-16(17(19,20)21)23-24(13)12-4-2-3-5-15(12)28(22,25)26/h2-9H,1H3,(H2,22,25,26)
InChIKeyLEVDPKAYMTXFBH-UHFFFAOYSA-N
MW431.82 g/mol
LogP3.87
Rot. Bonds4

About 2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67662512) has the molecular formula C17H13ClF3N3O3S and a molecular weight of 431.82 g/mol. Its IUPAC name is 2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67662512
Molecular FormulaC17H13ClF3N3O3S
Molecular Weight431.82 g/mol
Exact Mass431.03
IUPAC Name2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2S(N)(=O)=O)cc1Cl
InChIInChI=1S/C17H13ClF3N3O3S/c1-27-14-7-6-10(8-11(14)18)13-9-16(17(19,20)21)23-24(13)12-4-2-3-5-15(12)28(22,25)26/h2-9H,1H3,(H2,22,25,26)
InChIKeyLEVDPKAYMTXFBH-UHFFFAOYSA-N
XLogP3.87
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.82
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-fluoro-2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67648328
2-[4-chloro-5-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
CID 67663434
1-[4-[5-(3-chloro-4-methoxyphenyl)-1-(2-sulfamoylphenyl)pyrazol-3-yl]phenyl]-1-hydroxyurea
CID 22505133
2-[5-(1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662519
2-[5-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67647633
2-[5-[4-(diethylamino)-3-fluorophenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67677650
2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 70230174
2-[5-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67648516
2-[5-(3-bromo-4-methoxyphenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662320
2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580377
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzamide
CID 59632310
4-[5-(4-methoxy-3-prop-1-enylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 54246153

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 67662512) is 2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2S(N)(=O)=O)cc1Cl.
What is the InChIKey of 2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is LEVDPKAYMTXFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O3S/c1-27-14-7-6-10(8-11(14)18)13-9-16(17(19,20)21)23-24(13)12-4-2-3-5-15(12)28(22,25)26/h2-9H,1H3,(H2,22,25,26).
What are the key properties of 2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 431.82 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67662512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).