N-(3,4-difluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

C17H16F2N2O4S — CID 118396961

IUPACN-(3,4-difluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1
InChIInChI=1S/C17H16F2N2O4S/c18-15-5-4-12(9-16(15)19)20-17(22)11-2-1-3-14(8-11)26(23,24)21-13-6-7-25-10-13/h1-5,8-9,13,21H,6-7,10H2,(H,20,22)/t13-/m0/s1
InChIKeyCAWANTHHDOWCQB-ZDUSSCGKSA-N
MW382.39 g/mol
LogP2.28
Rot. Bonds5

About N-(3,4-difluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

N-(3,4-difluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (PubChem CID 118396961) has the molecular formula C17H16F2N2O4S and a molecular weight of 382.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
PubChem CID118396961
Molecular FormulaC17H16F2N2O4S
Molecular Weight382.39 g/mol
Exact Mass382.08
IUPAC NameN-(3,4-difluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1
InChIInChI=1S/C17H16F2N2O4S/c18-15-5-4-12(9-16(15)19)20-17(22)11-2-1-3-14(8-11)26(23,24)21-13-6-7-25-10-13/h1-5,8-9,13,21H,6-7,10H2,(H,20,22)/t13-/m0/s1
InChIKeyCAWANTHHDOWCQB-ZDUSSCGKSA-N
XLogP2.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-(4-hydroxypiperidin-1-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CID 89663273
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CID 2811587
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
N-cyclopentyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2358978
3-[(diethylamino)sulfonyl]-N-(3-methylphenyl)benzamide
CID 789345
3-(cyclopentylsulfamoyl)-N-phenylbenzamide
CID 793738
N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 968625
2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 3535094
5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 3602784
5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 4115155
3-(N-(tert-butyl)sulfamoyl)-N-(4-fluorophenyl)benzamide
CID 8744874
5-(cyclopentylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 15996927

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (CID 118396961) is N-(3,4-difluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is O=C(Nc1ccc(F)c(F)c1)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The InChIKey is CAWANTHHDOWCQB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16F2N2O4S/c18-15-5-4-12(9-16(15)19)20-17(22)11-2-1-3-14(8-11)26(23,24)21-13-6-7-25-10-13/h1-5,8-9,13,21H,6-7,10H2,(H,20,22)/t13-/m0/s1.
What are the key properties of N-(3,4-difluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
N-(3,4-difluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide has a molecular weight of 382.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 118396961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).