2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide

C18H19FN2O4S — CID 1094176

IUPAC2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1F
InChIInChI=1S/C18H19FN2O4S/c19-17-6-2-1-5-16(17)18(22)21-13-7-9-15(10-8-13)26(23,24)20-12-14-4-3-11-25-14/h1-2,5-10,14,20H,3-4,11-12H2,(H,21,22)/t14-/m0/s1
InChIKeyNIRSXDJGQRURCT-AWEZNQCLSA-N
MW378.43 g/mol
LogP2.54
Rot. Bonds6

About 2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide

2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide (PubChem CID 1094176) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
PubChem CID1094176
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1F
InChIInChI=1S/C18H19FN2O4S/c19-17-6-2-1-5-16(17)18(22)21-13-7-9-15(10-8-13)26(23,24)20-12-14-4-3-11-25-14/h1-2,5-10,14,20H,3-4,11-12H2,(H,21,22)/t14-/m0/s1
InChIKeyNIRSXDJGQRURCT-AWEZNQCLSA-N
XLogP2.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide
CID 17161199
2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide
CID 1137148
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 17147844
2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 3158279
N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide
CID 17154597
N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17161277
4-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1025633
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide
CID 23722959
2,4-dinitro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 17147099
2-bromo-N-naphthalen-2-yl-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 25362129
N-(1,3-benzodioxol-5-yl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1077889

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide (CID 1094176) is 2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide?
The InChIKey is NIRSXDJGQRURCT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c19-17-6-2-1-5-16(17)18(22)21-13-7-9-15(10-8-13)26(23,24)20-12-14-4-3-11-25-14/h1-2,5-10,14,20H,3-4,11-12H2,(H,21,22)/t14-/m0/s1.
What are the key properties of 2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide?
2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide has a molecular weight of 378.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1094176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).