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

C18H19F3N2O3S — CID 25350836

IUPACN-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-3-12(2)22-17(24)13-7-9-16(10-8-13)27(25,26)23-15-6-4-5-14(11-15)18(19,20)21/h4-12,23H,3H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyXCGSLDFWVULCLF-GFCCVEGCSA-N
MW400.42 g/mol
LogP4.03
Rot. Bonds6

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

N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 25350836) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID25350836
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC NameN-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-3-12(2)22-17(24)13-7-9-16(10-8-13)27(25,26)23-15-6-4-5-14(11-15)18(19,20)21/h4-12,23H,3H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyXCGSLDFWVULCLF-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-[(1S)-1-cyclopropylethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 9305504
N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26823127
N-[2-[di(propan-2-yl)amino]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 27231354
N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26500843
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448539
N-[(2R)-1-methoxypropan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26796911
2-chloro-N-pentan-2-yl-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 43019696
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 41250993
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471
N-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 4237463
4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774180

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 25350836) is N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is XCGSLDFWVULCLF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-3-12(2)22-17(24)13-7-9-16(10-8-13)27(25,26)23-15-6-4-5-14(11-15)18(19,20)21/h4-12,23H,3H2,1-2H3,(H,22,24)/t12-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]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-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 25350836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).