3-fluoro-N-[4-[[(2S,3S)-2-hydroxyoxolan-3-yl]sulfamoyl]phenyl]benzamide

C17H17FN2O5S — CID 141363354

IUPAC3-fluoro-N-[4-[[(2S,3S)-2-hydroxyoxolan-3-yl]sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N[C@H]2CCO[C@@H]2O)cc1)c1cccc(F)c1
InChIInChI=1S/C17H17FN2O5S/c18-12-3-1-2-11(10-12)16(21)19-13-4-6-14(7-5-13)26(23,24)20-15-8-9-25-17(15)22/h1-7,10,15,17,20,22H,8-9H2,(H,19,21)/t15-,17-/m0/s1
InChIKeyZHWAFYQTXMRBLL-RDJZCZTQSA-N
MW380.40 g/mol
LogP1.46
Rot. Bonds5

About 3-fluoro-N-[4-[[(2S,3S)-2-hydroxyoxolan-3-yl]sulfamoyl]phenyl]benzamide

3-fluoro-N-[4-[[(2S,3S)-2-hydroxyoxolan-3-yl]sulfamoyl]phenyl]benzamide (PubChem CID 141363354) has the molecular formula C17H17FN2O5S and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-fluoro-N-[4-[[(2S,3S)-2-hydroxyoxolan-3-yl]sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[[(2S,3S)-2-hydroxyoxolan-3-yl]sulfamoyl]phenyl]benzamide
PubChem CID141363354
Molecular FormulaC17H17FN2O5S
Molecular Weight380.40 g/mol
Exact Mass380.08
IUPAC Name3-fluoro-N-[4-[[(2S,3S)-2-hydroxyoxolan-3-yl]sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N[C@H]2CCO[C@@H]2O)cc1)c1cccc(F)c1
InChIInChI=1S/C17H17FN2O5S/c18-12-3-1-2-11(10-12)16(21)19-13-4-6-14(7-5-13)26(23,24)20-15-8-9-25-17(15)22/h1-7,10,15,17,20,22H,8-9H2,(H,19,21)/t15-,17-/m0/s1
InChIKeyZHWAFYQTXMRBLL-RDJZCZTQSA-N
XLogP1.46
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
N-(2-hydroxyoxolan-3-yl)benzenesulfonamide
CID 141363362
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 94783605
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 55865230
(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396645
3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2521510
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137
3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778716
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide
CID 17256852
N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 3643564

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[[(2S,3S)-2-hydroxyoxolan-3-yl]sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-[[(2S,3S)-2-hydroxyoxolan-3-yl]sulfamoyl]phenyl]benzamide (CID 141363354) is 3-fluoro-N-[4-[[(2S,3S)-2-hydroxyoxolan-3-yl]sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-[[(2S,3S)-2-hydroxyoxolan-3-yl]sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-[[(2S,3S)-2-hydroxyoxolan-3-yl]sulfamoyl]phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)N[C@H]2CCO[C@@H]2O)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-[[(2S,3S)-2-hydroxyoxolan-3-yl]sulfamoyl]phenyl]benzamide?
The InChIKey is ZHWAFYQTXMRBLL-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H17FN2O5S/c18-12-3-1-2-11(10-12)16(21)19-13-4-6-14(7-5-13)26(23,24)20-15-8-9-25-17(15)22/h1-7,10,15,17,20,22H,8-9H2,(H,19,21)/t15-,17-/m0/s1.
What are the key properties of 3-fluoro-N-[4-[[(2S,3S)-2-hydroxyoxolan-3-yl]sulfamoyl]phenyl]benzamide?
3-fluoro-N-[4-[[(2S,3S)-2-hydroxyoxolan-3-yl]sulfamoyl]phenyl]benzamide has a molecular weight of 380.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[[(2S,3S)-2-hydroxyoxolan-3-yl]sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 141363354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).