N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide

C18H19F3N2O3S — CID 51566572

IUPACN-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-3-12(2)23-27(25,26)16-9-7-15(8-10-16)22-17(24)13-5-4-6-14(11-13)18(19,20)21/h4-12,23H,3H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyJPHRGOJCMOBBIX-GFCCVEGCSA-N
MW400.42 g/mol
LogP4.03
Rot. Bonds6

About N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide

N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 51566572) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID51566572
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC NameN-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-3-12(2)23-27(25,26)16-9-7-15(8-10-16)22-17(24)13-5-4-6-14(11-13)18(19,20)21/h4-12,23H,3H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyJPHRGOJCMOBBIX-GFCCVEGCSA-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

4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46521899
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1214324
3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26698538
N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide
CID 109062983
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 25350836
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide (CID 51566572) is N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide is CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is JPHRGOJCMOBBIX-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-3-12(2)23-27(25,26)16-9-7-15(8-10-16)22-17(24)13-5-4-6-14(11-13)18(19,20)21/h4-12,23H,3H2,1-2H3,(H,22,24)/t12-/m1/s1.
What are the key properties of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)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 N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 51566572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).