4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide

C18H19F3N2O3S — CID 46521899

IUPAC4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-3-12(2)23-27(25,26)16-9-7-13(8-10-16)17(24)22-15-6-4-5-14(11-15)18(19,20)21/h4-12,23H,3H2,1-2H3,(H,22,24)
InChIKeyZYIUEAWNMNZVMX-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.03
Rot. Bonds6

About 4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide

4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 46521899) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID46521899
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-3-12(2)23-27(25,26)16-9-7-13(8-10-16)17(24)22-15-6-4-5-14(11-15)18(19,20)21/h4-12,23H,3H2,1-2H3,(H,22,24)
InChIKeyZYIUEAWNMNZVMX-UHFFFAOYSA-N
XLogP4.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 51566572
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239
N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 25350836
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666437
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1214324
4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 17197649
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide
CID 55485773
2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109249147
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137
(2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1378166

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 46521899) is 4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZYIUEAWNMNZVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-3-12(2)23-27(25,26)16-9-7-13(8-10-16)17(24)22-15-6-4-5-14(11-15)18(19,20)21/h4-12,23H,3H2,1-2H3,(H,22,24).
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 400.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 46521899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).