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

C18H19F3N2O3S — CID 2311348

IUPACN-[(2R)-butan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H19F3N2O3S/c1-3-12(2)22-17(24)13-6-4-9-16(10-13)27(25,26)23-15-8-5-7-14(11-15)18(19,20)21/h4-12,23H,3H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyBXHKSCSHDTYAIS-GFCCVEGCSA-N
MW400.42 g/mol
LogP4.03
Rot. Bonds6

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

N-[(2R)-butan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 2311348) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID2311348
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC NameN-[(2R)-butan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H19F3N2O3S/c1-3-12(2)22-17(24)13-6-4-9-16(10-13)27(25,26)23-15-8-5-7-14(11-15)18(19,20)21/h4-12,23H,3H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyBXHKSCSHDTYAIS-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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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 2311348) is N-[(2R)-butan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is BXHKSCSHDTYAIS-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-3-12(2)22-17(24)13-6-4-9-16(10-13)27(25,26)23-15-8-5-7-14(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]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
N-[(2R)-butan-2-yl]-3-[[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]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 2311348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).