3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride

C13H19ClN2O3S — CID 119964549

IUPAC3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCC(=O)c1cccc(S(=O)(=O)NC2CCCNC2)c1.Cl
InChIInChI=1S/C13H18N2O3S.ClH/c1-10(16)11-4-2-6-13(8-11)19(17,18)15-12-5-3-7-14-9-12;/h2,4,6,8,12,14-15H,3,5,7,9H2,1H3;1H
InChIKeyKFHOSFDWVYVYRE-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.34
Rot. Bonds4

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

3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119964549) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119964549
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCC(=O)c1cccc(S(=O)(=O)NC2CCCNC2)c1.Cl
InChIInChI=1S/C13H18N2O3S.ClH/c1-10(16)11-4-2-6-13(8-11)19(17,18)15-12-5-3-7-14-9-12;/h2,4,6,8,12,14-15H,3,5,7,9H2,1H3;1H
InChIKeyKFHOSFDWVYVYRE-UHFFFAOYSA-N
XLogP1.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964195
3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964250
3-bromo-N-piperidin-3-ylbenzenesulfonamide
CID 63321214
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide
CID 119964445
3-(cyclopropylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119460525
N-[4-[[(3R)-piperidin-3-yl]sulfamoyl]phenyl]acetamide
CID 104645741
3-acetyl-N-piperidin-3-yl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide;hydrochloride
CID 120999503
N,N-dimethyl-4-(piperidin-3-ylsulfamoyl)benzamide;hydrochloride
CID 120707147
3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51204299

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (CID 119964549) is 3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is CC(=O)c1cccc(S(=O)(=O)NC2CCCNC2)c1.Cl.
What is the InChIKey of 3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is KFHOSFDWVYVYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S.ClH/c1-10(16)11-4-2-6-13(8-11)19(17,18)15-12-5-3-7-14-9-12;/h2,4,6,8,12,14-15H,3,5,7,9H2,1H3;1H.
What are the key properties of 3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 318.83 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119964549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).