4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide

C19H20F4N2O3S — CID 86970963

IUPAC4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)NC(c2ccc(F)cc2)C(F)(F)F)cc1
InChIInChI=1S/C19H20F4N2O3S/c1-12(2)25(3)29(27,28)16-10-6-14(7-11-16)18(26)24-17(19(21,22)23)13-4-8-15(20)9-5-13/h4-12,17H,1-3H3,(H,24,26)
InChIKeyAOJUULAJHUMUTH-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.89
Rot. Bonds6

About 4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide

4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 86970963) has the molecular formula C19H20F4N2O3S and a molecular weight of 432.44 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide
PubChem CID86970963
Molecular FormulaC19H20F4N2O3S
Molecular Weight432.44 g/mol
Exact Mass432.11
IUPAC Name4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)NC(c2ccc(F)cc2)C(F)(F)F)cc1
InChIInChI=1S/C19H20F4N2O3S/c1-12(2)25(3)29(27,28)16-10-6-14(7-11-16)18(26)24-17(19(21,22)23)13-4-8-15(20)9-5-13/h4-12,17H,1-3H3,(H,24,26)
InChIKeyAOJUULAJHUMUTH-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 9426583
4-methylsulfonyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]benzamide
CID 52652803
3-methyl-2-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119170436
N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33314705
2-fluoro-5-(propan-2-ylsulfamoyl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide
CID 86971016
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 86942016
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92672272
N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 55948510
N-[1-(4-ethoxyphenyl)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55490961
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]-3-(4-fluorophenyl)propanoate
CID 55994917
(2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
CID 97000024
N-(2-methylbutan-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51320644

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide (CID 86970963) is 4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NC(c2ccc(F)cc2)C(F)(F)F)cc1.
What is the InChIKey of 4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is AOJUULAJHUMUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N2O3S/c1-12(2)25(3)29(27,28)16-10-6-14(7-11-16)18(26)24-17(19(21,22)23)13-4-8-15(20)9-5-13/h4-12,17H,1-3H3,(H,24,26).
What are the key properties of 4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide?
4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 432.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 86970963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).