2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

C11H16Cl2N2O2S — CID 119960748

IUPAC2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNCC1)c1ccccc1Cl
InChIInChI=1S/C11H15ClN2O2S.ClH/c12-10-3-1-2-4-11(10)17(15,16)14-9-5-7-13-8-6-9;/h1-4,9,13-14H,5-8H2;1H
InChIKeyZIPNQQOVKGURGA-UHFFFAOYSA-N
MW311.23 g/mol
LogP1.79
Rot. Bonds3

About 2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (PubChem CID 119960748) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is 2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
PubChem CID119960748
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC Name2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNCC1)c1ccccc1Cl
InChIInChI=1S/C11H15ClN2O2S.ClH/c12-10-3-1-2-4-11(10)17(15,16)14-9-5-7-13-8-6-9;/h1-4,9,13-14H,5-8H2;1H
InChIKeyZIPNQQOVKGURGA-UHFFFAOYSA-N
XLogP1.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967181
2,6-dichloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960503
4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride
CID 119960548
2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 165111784
2-chloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726925
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684857
2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 115752112
5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 119960783
2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960534
2-methoxy-N-piperidin-4-ylbenzenesulfonamide
CID 43603348
N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 120707575

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (CID 119960748) is 2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The InChIKey is ZIPNQQOVKGURGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S.ClH/c12-10-3-1-2-4-11(10)17(15,16)14-9-5-7-13-8-6-9;/h1-4,9,13-14H,5-8H2;1H.
What are the key properties of 2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride has a molecular weight of 311.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119960748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).