4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C14H17F3N2O3S — CID 8817212

IUPAC4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H17F3N2O3S/c1-9(10-2-3-10)19-23(21,22)12-6-4-11(5-7-12)13(20)18-8-14(15,16)17/h4-7,9-10,19H,2-3,8H2,1H3,(H,18,20)/t9-/m1/s1
InChIKeyICUGAIGQRLFLGB-SECBINFHSA-N
MW350.36 g/mol
LogP2.06
Rot. Bonds6

About 4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 8817212) has the molecular formula C14H17F3N2O3S and a molecular weight of 350.36 g/mol. Its IUPAC name is 4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID8817212
Molecular FormulaC14H17F3N2O3S
Molecular Weight350.36 g/mol
Exact Mass350.09
IUPAC Name4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H17F3N2O3S/c1-9(10-2-3-10)19-23(21,22)12-6-4-11(5-7-12)13(20)18-8-14(15,16)17/h4-7,9-10,19H,2-3,8H2,1H3,(H,18,20)/t9-/m1/s1
InChIKeyICUGAIGQRLFLGB-SECBINFHSA-N
XLogP2.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[(1S)-1-cyclopropylethyl]benzenesulfonamide
CID 8816988
4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816993
4-[[(1R)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817710
4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817707
4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 86959941
4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78808928
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119975015
4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide
CID 43533575
3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119987032
4-(cyanomethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 9452221
2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55492050
4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 43063392

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 8817212) is 4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is C[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C1CC1.
What is the InChIKey of 4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is ICUGAIGQRLFLGB-SECBINFHSA-N. The full InChI is InChI=1S/C14H17F3N2O3S/c1-9(10-2-3-10)19-23(21,22)12-6-4-11(5-7-12)13(20)18-8-14(15,16)17/h4-7,9-10,19H,2-3,8H2,1H3,(H,18,20)/t9-/m1/s1.
What are the key properties of 4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 350.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 8817212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).