N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide

C18H19ClN2O4S — CID 118695530

IUPACN-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(Cl)c1O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H19ClN2O4S/c19-15-8-5-9-16(17(15)22)20-18(23)13-6-4-7-14(12-13)26(24,25)21-10-2-1-3-11-21/h4-9,12,22H,1-3,10-11H2,(H,20,23)
InChIKeyUJXYITVIDHYGAA-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.47
Rot. Bonds4

About N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide

N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 118695530) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID118695530
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC NameN-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(Cl)c1O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H19ClN2O4S/c19-15-8-5-9-16(17(15)22)20-18(23)13-6-4-7-14(12-13)26(24,25)21-10-2-1-3-11-21/h4-9,12,22H,1-3,10-11H2,(H,20,23)
InChIKeyUJXYITVIDHYGAA-UHFFFAOYSA-N
XLogP3.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 60597425
N-(2-aminophenyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119422102
2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 4094310
3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
CID 26727547
3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2329024
N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 7688667
N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26620585
N-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 118695311
N-(2-methylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688908
3-(azepan-1-ylsulfonyl)-N-(2,5-difluorophenyl)benzamide
CID 2711406
N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26181040
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 118695530) is N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is O=C(Nc1cccc(Cl)c1O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is UJXYITVIDHYGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c19-15-8-5-9-16(17(15)22)20-18(23)13-6-4-7-14(12-13)26(24,25)21-10-2-1-3-11-21/h4-9,12,22H,1-3,10-11H2,(H,20,23).
What are the key properties of N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 394.88 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 118695530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).