N-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide

C19H21ClN2O4S — CID 118695311

IUPACN-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cc(Cl)ccc1CO)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H21ClN2O4S/c20-16-8-7-15(13-23)18(12-16)21-19(24)14-5-4-6-17(11-14)27(25,26)22-9-2-1-3-10-22/h4-8,11-12,23H,1-3,9-10,13H2,(H,21,24)
InChIKeyGSWCSWCYOQQPFE-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.26
Rot. Bonds5

About N-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide

N-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 118695311) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID118695311
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC NameN-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cc(Cl)ccc1CO)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H21ClN2O4S/c20-16-8-7-15(13-23)18(12-16)21-19(24)14-5-4-6-17(11-14)27(25,26)22-9-2-1-3-10-22/h4-8,11-12,23H,1-3,9-10,13H2,(H,21,24)
InChIKeyGSWCSWCYOQQPFE-UHFFFAOYSA-N
XLogP3.26
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
N-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55895644
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
3-(azepan-1-ylsulfonyl)-N-(2,5-difluorophenyl)benzamide
CID 2711406
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
N-(2-aminophenyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119422102
3-(azepan-1-ylsulfonyl)-N'-[2-(4-chlorophenyl)acetyl]benzohydrazide
CID 34572984
3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
CID 26727547
N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26880556
N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26620585
N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 60597425

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide (CID 118695311) is N-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide is O=C(Nc1cc(Cl)ccc1CO)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is GSWCSWCYOQQPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c20-16-8-7-15(13-23)18(12-16)21-19(24)14-5-4-6-17(11-14)27(25,26)22-9-2-1-3-10-22/h4-8,11-12,23H,1-3,9-10,13H2,(H,21,24).
What are the key properties of N-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 408.91 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 118695311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).