4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

C16H27ClN2O2S — CID 120725276

IUPAC4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCC1CNCCC1NS(=O)(=O)c1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-12-11-17-10-9-15(12)18-21(19,20)14-7-5-13(6-8-14)16(2,3)4;/h5-8,12,15,17-18H,9-11H2,1-4H3;1H
InChIKeyMWVOQIOWBGIFDX-UHFFFAOYSA-N
MW346.92 g/mol
LogP2.68
Rot. Bonds3

About 4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 120725276) has the molecular formula C16H27ClN2O2S and a molecular weight of 346.92 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID120725276
Molecular FormulaC16H27ClN2O2S
Molecular Weight346.92 g/mol
Exact Mass346.15
IUPAC Name4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCC1CNCCC1NS(=O)(=O)c1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-12-11-17-10-9-15(12)18-21(19,20)14-7-5-13(6-8-14)16(2,3)4;/h5-8,12,15,17-18H,9-11H2,1-4H3;1H
InChIKeyMWVOQIOWBGIFDX-UHFFFAOYSA-N
XLogP2.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.92
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 120724798
4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 120725183
3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725299
4-bromo-3-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724741
4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725010
4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide
CID 120724923
N-[(3R,4S)-3-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 124516960
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725034
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724849
4-(2-methyl-1,3-oxazol-4-yl)-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724946
N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 124516977
2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 120725276) is 4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is CC1CNCCC1NS(=O)(=O)c1ccc(C(C)(C)C)cc1.Cl.
What is the InChIKey of 4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is MWVOQIOWBGIFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S.ClH/c1-12-11-17-10-9-15(12)18-21(19,20)14-7-5-13(6-8-14)16(2,3)4;/h5-8,12,15,17-18H,9-11H2,1-4H3;1H.
What are the key properties of 4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 346.92 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120725276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).