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

C23H21F3N4O5S2 — CID 67614064

IUPACbenzenesulfonamide;N-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1.NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H14F3N3O3S.C6H7NO2S/c1-26-13-9-7-12(8-10-13)15-11-16(17(18,19)20)21-23(15)22-27(24,25)14-5-3-2-4-6-14;7-10(8,9)6-4-2-1-3-5-6/h2-11,22H,1H3;1-5H,(H2,7,8,9)
InChIKeyZPINATXKQAJXAS-UHFFFAOYSA-N
MW554.57 g/mol
LogP3.84
Rot. Bonds6

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

benzenesulfonamide;N-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67614064) has the molecular formula C23H21F3N4O5S2 and a molecular weight of 554.57 g/mol. Its IUPAC name is benzenesulfonamide;N-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Namebenzenesulfonamide;N-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67614064
Molecular FormulaC23H21F3N4O5S2
Molecular Weight554.57 g/mol
Exact Mass554.09
IUPAC Namebenzenesulfonamide;N-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1.NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H14F3N3O3S.C6H7NO2S/c1-26-13-9-7-12(8-10-13)15-11-16(17(18,19)20)21-23(15)22-27(24,25)14-5-3-2-4-6-14;7-10(8,9)6-4-2-1-3-5-6/h2-11,22H,1H3;1-5H,(H2,7,8,9)
InChIKeyZPINATXKQAJXAS-UHFFFAOYSA-N
XLogP3.84
TPSA133.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.57
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

benzenesulfonamide;5-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 142190526
N-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209774
N-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209734
N-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209661
N-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209775
N-[5-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209729
N-[5-[4-[ethyl(methyl)amino]-3-fluorophenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662239
N-[5-(4-chlorophenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209750
N-[5-(4-chloro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67648503
methanesulfonamide;5-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 142958737
5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole
CID 57334325
benzenesulfonamide;N-[3-cyano-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide;N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
CID 70291920

Frequently Asked Questions

What is the IUPAC name of benzenesulfonamide;N-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of benzenesulfonamide;N-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 67614064) is benzenesulfonamide;N-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for benzenesulfonamide;N-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for benzenesulfonamide;N-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is COc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1.NS(=O)(=O)c1ccccc1.
What is the InChIKey of benzenesulfonamide;N-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is ZPINATXKQAJXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S.C6H7NO2S/c1-26-13-9-7-12(8-10-13)15-11-16(17(18,19)20)21-23(15)22-27(24,25)14-5-3-2-4-6-14;7-10(8,9)6-4-2-1-3-5-6/h2-11,22H,1H3;1-5H,(H2,7,8,9).
What are the key properties of benzenesulfonamide;N-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
benzenesulfonamide;N-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 554.57 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonamide;N-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67614064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).