N-(benzenesulfonyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C22H18F3NO3S — CID 140992498

IUPACN-(benzenesulfonyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1cccc(C(=O)NS(=O)(=O)c2ccccc2)c1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H18F3NO3S/c1-15-6-5-9-19(21(27)26-30(28,29)18-7-3-2-4-8-18)20(15)14-16-10-12-17(13-11-16)22(23,24)25/h2-13H,14H2,1H3,(H,26,27)
InChIKeyCPYTZXNWORWVSI-UHFFFAOYSA-N
MW433.45 g/mol
LogP4.72
Rot. Bonds5

About N-(benzenesulfonyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide

N-(benzenesulfonyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 140992498) has the molecular formula C22H18F3NO3S and a molecular weight of 433.45 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID140992498
Molecular FormulaC22H18F3NO3S
Molecular Weight433.45 g/mol
Exact Mass433.10
IUPAC NameN-(benzenesulfonyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1cccc(C(=O)NS(=O)(=O)c2ccccc2)c1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H18F3NO3S/c1-15-6-5-9-19(21(27)26-30(28,29)18-7-3-2-4-8-18)20(15)14-16-10-12-17(13-11-16)22(23,24)25/h2-13H,14H2,1H3,(H,26,27)
InChIKeyCPYTZXNWORWVSI-UHFFFAOYSA-N
XLogP4.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzenesulfonyl)-1-[(2,6-dimethylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxamide
CID 121252916
2-benzyl-N-(4-methylphenyl)sulfonylbenzamide
CID 132940994
2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110077557
1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 63527519
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 58597511
3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 68649813
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
N-(benzenesulfonyl)-4-(2,4,4-trimethylpentan-2-yl)benzamide
CID 22356861
4-(benzenesulfonamido)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 31147171
N-(benzenesulfonyl)-2-methylfuran-3-carboxamide
CID 47231856
N-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 71883900

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-(benzenesulfonyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 140992498) is N-(benzenesulfonyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-(benzenesulfonyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-(benzenesulfonyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide is Cc1cccc(C(=O)NS(=O)(=O)c2ccccc2)c1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(benzenesulfonyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is CPYTZXNWORWVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO3S/c1-15-6-5-9-19(21(27)26-30(28,29)18-7-3-2-4-8-18)20(15)14-16-10-12-17(13-11-16)22(23,24)25/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of N-(benzenesulfonyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
N-(benzenesulfonyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 433.45 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 140992498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).