3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride

C11H16Cl2N2O2S — CID 119964195

IUPAC3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCCNC1)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2S.ClH/c12-9-3-1-5-11(7-9)17(15,16)14-10-4-2-6-13-8-10;/h1,3,5,7,10,13-14H,2,4,6,8H2;1H
InChIKeyGVGTYPCFAHAPJC-UHFFFAOYSA-N
MW311.23 g/mol
LogP1.79
Rot. Bonds3

About 3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride

3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119964195) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is 3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119964195
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC Name3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCCNC1)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2S.ClH/c12-9-3-1-5-11(7-9)17(15,16)14-10-4-2-6-13-8-10;/h1,3,5,7,10,13-14H,2,4,6,8H2;1H
InChIKeyGVGTYPCFAHAPJC-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

3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685888
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
3-bromo-N-piperidin-3-ylbenzenesulfonamide
CID 63321214
3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964250
3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964549
3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 106606906
4-chloro-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119964194
3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide
CID 119964445
N-piperidin-3-ylnaphthalene-2-sulfonamide
CID 63321555
5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716768
4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723768
N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide
CID 63320915

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (CID 119964195) is 3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCCNC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is GVGTYPCFAHAPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S.ClH/c12-9-3-1-5-11(7-9)17(15,16)14-10-4-2-6-13-8-10;/h1,3,5,7,10,13-14H,2,4,6,8H2;1H.
What are the key properties of 3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
3-chloro-N-piperidin-3-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 3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119964195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).