2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide

C18H18Cl2N2O4S — CID 78798212

IUPAC2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)N1CCCC(O)C1
InChIInChI=1S/C18H18Cl2N2O4S/c19-13-5-8-16(20)17(10-13)27(25,26)21-14-6-3-12(4-7-14)18(24)22-9-1-2-15(23)11-22/h3-8,10,15,21,23H,1-2,9,11H2
InChIKeyBAOMLAJOHLCOLW-UHFFFAOYSA-N
MW429.33 g/mol
LogP3.39
Rot. Bonds4

About 2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide

2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 78798212) has the molecular formula C18H18Cl2N2O4S and a molecular weight of 429.33 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID78798212
Molecular FormulaC18H18Cl2N2O4S
Molecular Weight429.33 g/mol
Exact Mass428.04
IUPAC Name2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)N1CCCC(O)C1
InChIInChI=1S/C18H18Cl2N2O4S/c19-13-5-8-16(20)17(10-13)27(25,26)21-14-6-3-12(4-7-14)18(24)22-9-1-2-15(23)11-22/h3-8,10,15,21,23H,1-2,9,11H2
InChIKeyBAOMLAJOHLCOLW-UHFFFAOYSA-N
XLogP3.39
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 55347547
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 2330006
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
CID 43390619
2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 24539688
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 60589492
1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
CID 18159134
methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 55350196
[4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 62178263

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 78798212) is 2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)N1CCCC(O)C1.
What is the InChIKey of 2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is BAOMLAJOHLCOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4S/c19-13-5-8-16(20)17(10-13)27(25,26)21-14-6-3-12(4-7-14)18(24)22-9-1-2-15(23)11-22/h3-8,10,15,21,23H,1-2,9,11H2.
What are the key properties of 2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 429.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 78798212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).