3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C15H19FN2O4S — CID 95150216

IUPAC3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C15H19FN2O4S/c16-13-6-3-10(15(19)17-9-12-2-1-7-22-12)8-14(13)23(20,21)18-11-4-5-11/h3,6,8,11-12,18H,1-2,4-5,7,9H2,(H,17,19)/t12-/m1/s1
InChIKeyYCFZFBAOWWXCPT-GFCCVEGCSA-N
MW342.39 g/mol
LogP1.18
Rot. Bonds6

About 3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide

3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 95150216) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID95150216
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C15H19FN2O4S/c16-13-6-3-10(15(19)17-9-12-2-1-7-22-12)8-14(13)23(20,21)18-11-4-5-11/h3,6,8,11-12,18H,1-2,4-5,7,9H2,(H,17,19)/t12-/m1/s1
InChIKeyYCFZFBAOWWXCPT-GFCCVEGCSA-N
XLogP1.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cycloheptylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 109059992
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4658013
4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide
CID 65374368
3-(cyclopentylsulfamoyl)-4-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99978317
4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide
CID 55103122
2-[(2,5-difluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 40821094
2-[(2,5-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 40821093
3-fluoro-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 55103551
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109050678
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 95150216) is 3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@H]1CCCO1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is YCFZFBAOWWXCPT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c16-13-6-3-10(15(19)17-9-12-2-1-7-22-12)8-14(13)23(20,21)18-11-4-5-11/h3,6,8,11-12,18H,1-2,4-5,7,9H2,(H,17,19)/t12-/m1/s1.
What are the key properties of 3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 342.39 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 95150216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).