3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide

C22H19F3N2O4S — CID 55985947

IUPAC3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(c3ccccc3)C(F)(F)F)c2)cc1
InChIInChI=1S/C22H19F3N2O4S/c1-31-18-12-10-17(11-13-18)27-32(29,30)19-9-5-8-16(14-19)21(28)26-20(22(23,24)25)15-6-3-2-4-7-15/h2-14,20,27H,1H3,(H,26,28)
InChIKeyYDDUHBXXSMACST-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.53
Rot. Bonds7

About 3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide

3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide (PubChem CID 55985947) has the molecular formula C22H19F3N2O4S and a molecular weight of 464.47 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
PubChem CID55985947
Molecular FormulaC22H19F3N2O4S
Molecular Weight464.47 g/mol
Exact Mass464.10
IUPAC Name3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(c3ccccc3)C(F)(F)F)c2)cc1
InChIInChI=1S/C22H19F3N2O4S/c1-31-18-12-10-17(11-13-18)27-32(29,30)19-9-5-8-16(14-19)21(28)26-20(22(23,24)25)15-6-3-2-4-7-15/h2-14,20,27H,1H3,(H,26,28)
InChIKeyYDDUHBXXSMACST-UHFFFAOYSA-N
XLogP4.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 132663597
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
N-[furan-2-yl(phenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 134029296
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790
N-(4-methoxyphenyl)-3-[[[4-(trifluoromethyl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 46652595
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 27853826
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
N-cyclopentyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 9164188
3-[[(3,5-difluorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46652429
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide (CID 55985947) is 3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(c3ccccc3)C(F)(F)F)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?
The InChIKey is YDDUHBXXSMACST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4S/c1-31-18-12-10-17(11-13-18)27-32(29,30)19-9-5-8-16(14-19)21(28)26-20(22(23,24)25)15-6-3-2-4-7-15/h2-14,20,27H,1H3,(H,26,28).
What are the key properties of 3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?
3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide has a molecular weight of 464.47 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide is sourced from PubChem (CID 55985947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).