2-[5-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C16H10Cl2F3N3O2S — CID 67647633

IUPAC2-[5-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H10Cl2F3N3O2S/c17-9-5-6-11(18)10(7-9)13-8-15(16(19,20)21)23-24(13)12-3-1-2-4-14(12)27(22,25)26/h1-8H,(H2,22,25,26)
InChIKeyNSORVQGUDZCQMX-UHFFFAOYSA-N
MW436.24 g/mol
LogP4.51
Rot. Bonds3

About 2-[5-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

2-[5-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67647633) has the molecular formula C16H10Cl2F3N3O2S and a molecular weight of 436.24 g/mol. Its IUPAC name is 2-[5-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[5-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67647633
Molecular FormulaC16H10Cl2F3N3O2S
Molecular Weight436.24 g/mol
Exact Mass434.98
IUPAC Name2-[5-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H10Cl2F3N3O2S/c17-9-5-6-11(18)10(7-9)13-8-15(16(19,20)21)23-24(13)12-3-1-2-4-14(12)27(22,25)26/h1-8H,(H2,22,25,26)
InChIKeyNSORVQGUDZCQMX-UHFFFAOYSA-N
XLogP4.51
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.24
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67648516
2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662512
2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 70230174
2-[5-(4-fluoro-2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67648328
2-[5-(1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662519
2-[5-[4-(diethylamino)-3-fluorophenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67677650
2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580377
2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580684
2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67581147
6-[5-(2,4-dichloro-5-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 142662120
2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 67579897
2-[5-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67581249

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[5-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 67647633) is 2-[5-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[5-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[5-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)cc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[5-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is NSORVQGUDZCQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F3N3O2S/c17-9-5-6-11(18)10(7-9)13-8-15(16(19,20)21)23-24(13)12-3-1-2-4-14(12)27(22,25)26/h1-8H,(H2,22,25,26).
What are the key properties of 2-[5-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
2-[5-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 436.24 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67647633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).