3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

C14H22N2O2S — CID 43120052

IUPAC3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCCCN2)cc1C
InChIInChI=1S/C14H22N2O2S/c1-11-6-7-14(9-12(11)2)19(17,18)16-10-13-5-3-4-8-15-13/h6-7,9,13,15-16H,3-5,8,10H2,1-2H3
InChIKeyVIWZCWQUWHFIMK-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.72
Rot. Bonds4

About 3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (PubChem CID 43120052) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
PubChem CID43120052
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCCCN2)cc1C
InChIInChI=1S/C14H22N2O2S/c1-11-6-7-14(9-12(11)2)19(17,18)16-10-13-5-3-4-8-15-13/h6-7,9,13,15-16H,3-5,8,10H2,1-2H3
InChIKeyVIWZCWQUWHFIMK-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide
CID 62322482
methyl 2-methyl-4-(pyrrolidin-2-ylmethylsulfamoyl)benzoate;hydrochloride
CID 119974554
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide
CID 86784602
2,5-dibromo-4-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 81326902
4-(difluoromethoxy)-3-fluoro-N-[[(2S)-piperidin-2-yl]methyl]benzenesulfonamide
CID 124741535
3-bromo-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540771
2-(3,4-dimethylphenyl)sulfonylpiperidine
CID 117036510
2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119974021
4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972556
3-methoxy-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974146
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (CID 43120052) is 3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CCCCN2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is VIWZCWQUWHFIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-6-7-14(9-12(11)2)19(17,18)16-10-13-5-3-4-8-15-13/h6-7,9,13,15-16H,3-5,8,10H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43120052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).