2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide

C15H21ClN2O4S — CID 78795839

IUPAC2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCCO)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C15H21ClN2O4S/c16-14-6-5-12(11-13(14)15(20)17-7-4-10-19)23(21,22)18-8-2-1-3-9-18/h5-6,11,19H,1-4,7-10H2,(H,17,20)
InChIKeyPVEUCUNKASPBOI-UHFFFAOYSA-N
MW360.86 g/mol
LogP1.63
Rot. Bonds6

About 2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide

2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 78795839) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID78795839
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCCO)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C15H21ClN2O4S/c16-14-6-5-12(11-13(14)15(20)17-7-4-10-19)23(21,22)18-8-2-1-3-9-18/h5-6,11,19H,1-4,7-10H2,(H,17,20)
InChIKeyPVEUCUNKASPBOI-UHFFFAOYSA-N
XLogP1.63
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(azepan-1-ylsulfonyl)-N-butyl-2-chlorobenzamide
CID 28590824
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480
2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26534993
N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 24660007
5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 46387509
2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 18127231
2-chloro-N-[2-(4-fluorophenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 4002004
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 92882504
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387433
N-[2-(1-adamantyl)ethyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26212163
2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 30502848

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide (CID 78795839) is 2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide is O=C(NCCCO)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is PVEUCUNKASPBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c16-14-6-5-12(11-13(14)15(20)17-7-4-10-19)23(21,22)18-8-2-1-3-9-18/h5-6,11,19H,1-4,7-10H2,(H,17,20).
What are the key properties of 2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide?
2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 360.86 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 78795839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).