3-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid

C18H18FNO5S — CID 95551441

IUPAC3-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
SMILESO=C(O)c1cc(-c2ccccc2F)cc(S(=O)(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C18H18FNO5S/c19-17-6-2-1-5-16(17)12-8-13(18(21)22)10-15(9-12)26(23,24)20-11-14-4-3-7-25-14/h1-2,5-6,8-10,14,20H,3-4,7,11H2,(H,21,22)/t14-/m1/s1
InChIKeyNOPMCMMNBITNNZ-CQSZACIVSA-N
MW379.41 g/mol
LogP2.65
Rot. Bonds6

About 3-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid

3-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid (PubChem CID 95551441) has the molecular formula C18H18FNO5S and a molecular weight of 379.41 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
PubChem CID95551441
Molecular FormulaC18H18FNO5S
Molecular Weight379.41 g/mol
Exact Mass379.09
IUPAC Name3-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
SMILESO=C(O)c1cc(-c2ccccc2F)cc(S(=O)(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C18H18FNO5S/c19-17-6-2-1-5-16(17)12-8-13(18(21)22)10-15(9-12)26(23,24)20-11-14-4-3-7-25-14/h1-2,5-6,8-10,14,20H,3-4,7,11H2,(H,21,22)/t14-/m1/s1
InChIKeyNOPMCMMNBITNNZ-CQSZACIVSA-N
XLogP2.65
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43045341
2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094176
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 43081600
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337
4-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1025633
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
3-(azepane-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43002594
1-[(2-fluorophenyl)methyl]-2-methyl-3-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]guanidine
CID 111265531
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid?
The IUPAC name of 3-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid (CID 95551441) is 3-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid is O=C(O)c1cc(-c2ccccc2F)cc(S(=O)(=O)NC[C@H]2CCCO2)c1.
What is the InChIKey of 3-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid?
The InChIKey is NOPMCMMNBITNNZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18FNO5S/c19-17-6-2-1-5-16(17)12-8-13(18(21)22)10-15(9-12)26(23,24)20-11-14-4-3-7-25-14/h1-2,5-6,8-10,14,20H,3-4,7,11H2,(H,21,22)/t14-/m1/s1.
What are the key properties of 3-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid?
3-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid has a molecular weight of 379.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid is sourced from PubChem (CID 95551441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).