4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide

C18H19FN2O4S — CID 78802442

IUPAC4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCC(O)CC1
InChIInChI=1S/C18H19FN2O4S/c19-14-3-7-17(8-4-14)26(24,25)20-15-5-1-13(2-6-15)18(23)21-11-9-16(22)10-12-21/h1-8,16,20,22H,9-12H2
InChIKeyDAVSWCNCCBCPTP-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.22
Rot. Bonds4

About 4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide

4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 78802442) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID78802442
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCC(O)CC1
InChIInChI=1S/C18H19FN2O4S/c19-14-3-7-17(8-4-14)26(24,25)20-15-5-1-13(2-6-15)18(23)21-11-9-16(22)10-12-21/h1-8,16,20,22H,9-12H2
InChIKeyDAVSWCNCCBCPTP-UHFFFAOYSA-N
XLogP2.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 119374441
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56544473
4-(1,4-diazepane-1-carbonyl)-N-(4-fluorophenyl)benzenesulfonamide
CID 119414701
4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 25497663
4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 119578076
4-(4-hydroxypiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 134014786
4-fluoro-N-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 134014869
tert-butyl 4-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate
CID 41470918
1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 20973095
4-(pyrrolidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 109059218
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 78802442) is 4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCC(O)CC1.
What is the InChIKey of 4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is DAVSWCNCCBCPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c19-14-3-7-17(8-4-14)26(24,25)20-15-5-1-13(2-6-15)18(23)21-11-9-16(22)10-12-21/h1-8,16,20,22H,9-12H2.
What are the key properties of 4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 378.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 78802442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).