2-fluoro-5-(propan-2-ylsulfamoyl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide

C18H17F5N2O3S — CID 86971016

IUPAC2-fluoro-5-(propan-2-ylsulfamoyl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NC(c2ccc(F)cc2)C(F)(F)F)c1
InChIInChI=1S/C18H17F5N2O3S/c1-10(2)25-29(27,28)13-7-8-15(20)14(9-13)17(26)24-16(18(21,22)23)11-3-5-12(19)6-4-11/h3-10,16,25H,1-2H3,(H,24,26)
InChIKeyZJQOQUDMABNRNX-UHFFFAOYSA-N
MW436.40 g/mol
LogP3.68
Rot. Bonds6

About 2-fluoro-5-(propan-2-ylsulfamoyl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide

2-fluoro-5-(propan-2-ylsulfamoyl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 86971016) has the molecular formula C18H17F5N2O3S and a molecular weight of 436.40 g/mol. Its IUPAC name is 2-fluoro-5-(propan-2-ylsulfamoyl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-(propan-2-ylsulfamoyl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide
PubChem CID86971016
Molecular FormulaC18H17F5N2O3S
Molecular Weight436.40 g/mol
Exact Mass436.09
IUPAC Name2-fluoro-5-(propan-2-ylsulfamoyl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NC(c2ccc(F)cc2)C(F)(F)F)c1
InChIInChI=1S/C18H17F5N2O3S/c1-10(2)25-29(27,28)13-7-8-15(20)14(9-13)17(26)24-16(18(21,22)23)11-3-5-12(19)6-4-11/h3-10,16,25H,1-2H3,(H,24,26)
InChIKeyZJQOQUDMABNRNX-UHFFFAOYSA-N
XLogP3.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide;sulfuric acid
CID 175748507
2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 86956162
5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
CID 92680004
4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide
CID 86970963
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55606874
2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55607195
(2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
CID 97000024
N-[1-(3,4-difluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 43010637
methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580629
methyl 3-(4-chlorophenyl)-3-[[2-chloro-5-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 55439490
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
N-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 39124674

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(propan-2-ylsulfamoyl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 2-fluoro-5-(propan-2-ylsulfamoyl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide (CID 86971016) is 2-fluoro-5-(propan-2-ylsulfamoyl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-5-(propan-2-ylsulfamoyl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-5-(propan-2-ylsulfamoyl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide is CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NC(c2ccc(F)cc2)C(F)(F)F)c1.
What is the InChIKey of 2-fluoro-5-(propan-2-ylsulfamoyl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is ZJQOQUDMABNRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N2O3S/c1-10(2)25-29(27,28)13-7-8-15(20)14(9-13)17(26)24-16(18(21,22)23)11-3-5-12(19)6-4-11/h3-10,16,25H,1-2H3,(H,24,26).
What are the key properties of 2-fluoro-5-(propan-2-ylsulfamoyl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide?
2-fluoro-5-(propan-2-ylsulfamoyl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 436.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(propan-2-ylsulfamoyl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 86971016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).