3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C13H15F3N2O4S — CID 99819133

IUPAC3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1
InChIInChI=1S/C13H15F3N2O4S/c14-13(15,16)8-17-12(19)9-2-1-3-11(6-9)23(20,21)18-10-4-5-22-7-10/h1-3,6,10,18H,4-5,7-8H2,(H,17,19)/t10-/m1/s1
InChIKeyRFHSXVXKHVBYNN-SNVBAGLBSA-N
MW352.33 g/mol
LogP1.05
Rot. Bonds5

About 3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 99819133) has the molecular formula C13H15F3N2O4S and a molecular weight of 352.33 g/mol. Its IUPAC name is 3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID99819133
Molecular FormulaC13H15F3N2O4S
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC Name3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1
InChIInChI=1S/C13H15F3N2O4S/c14-13(15,16)8-17-12(19)9-2-1-3-11(6-9)23(20,21)18-10-4-5-22-7-10/h1-3,6,10,18H,4-5,7-8H2,(H,17,19)/t10-/m1/s1
InChIKeyRFHSXVXKHVBYNN-SNVBAGLBSA-N
XLogP1.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide
CID 97201095
3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 77086446
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide
CID 74242784
N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 118396952
3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676
3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642118
3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 120582622
3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 29299625
N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 99930348
3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide
CID 97192159
3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249979

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 99819133) is 3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1.
What is the InChIKey of 3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is RFHSXVXKHVBYNN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15F3N2O4S/c14-13(15,16)8-17-12(19)9-2-1-3-11(6-9)23(20,21)18-10-4-5-22-7-10/h1-3,6,10,18H,4-5,7-8H2,(H,17,19)/t10-/m1/s1.
What are the key properties of 3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 352.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 99819133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).