4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide

C24H18F3N3O3S — CID 55759697

IUPAC4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H18F3N3O3S/c25-24(26,27)19-11-12-22(30-14-4-13-28-30)21(15-19)29-23(31)18-9-7-17(8-10-18)16-34(32,33)20-5-2-1-3-6-20/h1-15H,16H2,(H,29,31)
InChIKeyRPXAVZYWZFPPMB-UHFFFAOYSA-N
MW485.49 g/mol
LogP5.12
Rot. Bonds6

About 4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide

4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 55759697) has the molecular formula C24H18F3N3O3S and a molecular weight of 485.49 g/mol. Its IUPAC name is 4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID55759697
Molecular FormulaC24H18F3N3O3S
Molecular Weight485.49 g/mol
Exact Mass485.10
IUPAC Name4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H18F3N3O3S/c25-24(26,27)19-11-12-22(30-14-4-13-28-30)21(15-19)29-23(31)18-9-7-17(8-10-18)16-34(32,33)20-5-2-1-3-6-20/h1-15H,16H2,(H,29,31)
InChIKeyRPXAVZYWZFPPMB-UHFFFAOYSA-N
XLogP5.12
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
3,4-difluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725502
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725440
5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 46616651
4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 8844382
N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide
CID 55934258
4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725553
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26725545
methyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 26489724
2-phenyl-5-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 60554049
2-(3-fluoro-4-methoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 26725790

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide (CID 55759697) is 4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RPXAVZYWZFPPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3S/c25-24(26,27)19-11-12-22(30-14-4-13-28-30)21(15-19)29-23(31)18-9-7-17(8-10-18)16-34(32,33)20-5-2-1-3-6-20/h1-15H,16H2,(H,29,31).
What are the key properties of 4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 485.49 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 55759697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).