4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride

C16H27ClN2O2S — CID 120726766

IUPAC4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
SMILESCCC(C)c1ccc(S(=O)(=O)NC2CCCNC2C)cc1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-4-12(2)14-7-9-15(10-8-14)21(19,20)18-16-6-5-11-17-13(16)3;/h7-10,12-13,16-18H,4-6,11H2,1-3H3;1H
InChIKeyLSOPNVGLBRNDCK-UHFFFAOYSA-N
MW346.92 g/mol
LogP3.04
Rot. Bonds5

About 4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride

4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride (PubChem CID 120726766) has the molecular formula C16H27ClN2O2S and a molecular weight of 346.92 g/mol. Its IUPAC name is 4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
PubChem CID120726766
Molecular FormulaC16H27ClN2O2S
Molecular Weight346.92 g/mol
Exact Mass346.15
IUPAC Name4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
SMILESCCC(C)c1ccc(S(=O)(=O)NC2CCCNC2C)cc1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-4-12(2)14-7-9-15(10-8-14)21(19,20)18-16-6-5-11-17-13(16)3;/h7-10,12-13,16-18H,4-6,11H2,1-3H3;1H
InChIKeyLSOPNVGLBRNDCK-UHFFFAOYSA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.92
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
N-(2-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 120726763
4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974008
N-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide
CID 63252038
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide
CID 43603241
4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726698
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
N,N-dimethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]benzamide
CID 120726525
4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068886

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride (CID 120726766) is 4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride is CCC(C)c1ccc(S(=O)(=O)NC2CCCNC2C)cc1.Cl.
What is the InChIKey of 4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The InChIKey is LSOPNVGLBRNDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S.ClH/c1-4-12(2)14-7-9-15(10-8-14)21(19,20)18-16-6-5-11-17-13(16)3;/h7-10,12-13,16-18H,4-6,11H2,1-3H3;1H.
What are the key properties of 4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride has a molecular weight of 346.92 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120726766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).