3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride

C16H25ClN2O3S — CID 51204299

IUPAC3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCCCN1CCC(NS(=O)(=O)c2cccc(C(C)=O)c2)CC1.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-3-9-18-10-7-15(8-11-18)17-22(20,21)16-6-4-5-14(12-16)13(2)19;/h4-6,12,15,17H,3,7-11H2,1-2H3;1H
InChIKeyFVQDWNYUONMUPR-UHFFFAOYSA-N
MW360.91 g/mol
LogP2.46
Rot. Bonds6

About 3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride

3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 51204299) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID51204299
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCCCN1CCC(NS(=O)(=O)c2cccc(C(C)=O)c2)CC1.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-3-9-18-10-7-15(8-11-18)17-22(20,21)16-6-4-5-14(12-16)13(2)19;/h4-6,12,15,17H,3,7-11H2,1-2H3;1H
InChIKeyFVQDWNYUONMUPR-UHFFFAOYSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide
CID 60873622
4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 55538300
3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772626
3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964549
methyl 3-[(1-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 100692122
3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide
CID 9264466
3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741564
4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51110179
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063351
3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 55387130
3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61126995

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 51204299) is 3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride is CCCN1CCC(NS(=O)(=O)c2cccc(C(C)=O)c2)CC1.Cl.
What is the InChIKey of 3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is FVQDWNYUONMUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S.ClH/c1-3-9-18-10-7-15(8-11-18)17-22(20,21)16-6-4-5-14(12-16)13(2)19;/h4-6,12,15,17H,3,7-11H2,1-2H3;1H.
What are the key properties of 3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 51204299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).