4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride

C13H21ClN2O4S2 — CID 119968466

IUPAC4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)NCC2CCCNC2)cc1.Cl
InChIInChI=1S/C13H20N2O4S2.ClH/c1-20(16,17)12-4-6-13(7-5-12)21(18,19)15-10-11-3-2-8-14-9-11;/h4-7,11,14-15H,2-3,8-10H2,1H3;1H
InChIKeyRNLBCNABWLTPKW-UHFFFAOYSA-N
MW368.91 g/mol
LogP0.79
Rot. Bonds5

About 4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride

4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 119968466) has the molecular formula C13H21ClN2O4S2 and a molecular weight of 368.91 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
PubChem CID119968466
Molecular FormulaC13H21ClN2O4S2
Molecular Weight368.91 g/mol
Exact Mass368.06
IUPAC Name4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)NCC2CCCNC2)cc1.Cl
InChIInChI=1S/C13H20N2O4S2.ClH/c1-20(16,17)12-4-6-13(7-5-12)21(18,19)15-10-11-3-2-8-14-9-11;/h4-7,11,14-15H,2-3,8-10H2,1H3;1H
InChIKeyRNLBCNABWLTPKW-UHFFFAOYSA-N
XLogP0.79
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 61070409
4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968401
4-(3-methylbutyl)-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968622
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
4-bromo-3-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968667
3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968615
N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119968503
N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
CID 119968808
2-fluoro-5-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80562570
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide
CID 119968504

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride (CID 119968466) is 4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride is CS(=O)(=O)c1ccc(S(=O)(=O)NCC2CCCNC2)cc1.Cl.
What is the InChIKey of 4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is RNLBCNABWLTPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2.ClH/c1-20(16,17)12-4-6-13(7-5-12)21(18,19)15-10-11-3-2-8-14-9-11;/h4-7,11,14-15H,2-3,8-10H2,1H3;1H.
What are the key properties of 4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119968466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).