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

C18H19FN2O4S — CID 1094225

IUPAC3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H19FN2O4S/c19-14-4-1-3-13(11-14)18(22)21-15-6-8-17(9-7-15)26(23,24)20-12-16-5-2-10-25-16/h1,3-4,6-9,11,16,20H,2,5,10,12H2,(H,21,22)/t16-/m0/s1
InChIKeyKANUCCGZDGNASN-INIZCTEOSA-N
MW378.43 g/mol
LogP2.54
Rot. Bonds6

About 3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide

3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide (PubChem CID 1094225) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
PubChem CID1094225
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H19FN2O4S/c19-14-4-1-3-13(11-14)18(22)21-15-6-8-17(9-7-15)26(23,24)20-12-16-5-2-10-25-16/h1,3-4,6-9,11,16,20H,2,5,10,12H2,(H,21,22)/t16-/m0/s1
InChIKeyKANUCCGZDGNASN-INIZCTEOSA-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

N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17147003
3-(2-methylpropanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094236
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094176
3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 41300861
2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 3158279
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063915
4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 8017104
3-chloro-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17161309
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-(4-bromo-3-methylphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646358

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide (CID 1094225) is 3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide?
The InChIKey is KANUCCGZDGNASN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c19-14-4-1-3-13(11-14)18(22)21-15-6-8-17(9-7-15)26(23,24)20-12-16-5-2-10-25-16/h1,3-4,6-9,11,16,20H,2,5,10,12H2,(H,21,22)/t16-/m0/s1.
What are the key properties of 3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide?
3-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 3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1094225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).