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

C14H22N2O2S — CID 71564527

IUPAC2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC2CCNCC2)c1C
InChIInChI=1S/C14H22N2O2S/c1-11-4-3-5-14(12(11)2)19(17,18)16-10-13-6-8-15-9-7-13/h3-5,13,15-16H,6-10H2,1-2H3
InChIKeyQFICZMXUNVFYEW-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.58
Rot. Bonds4

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

2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide (PubChem CID 71564527) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
PubChem CID71564527
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC2CCNCC2)c1C
InChIInChI=1S/C14H22N2O2S/c1-11-4-3-5-14(12(11)2)19(17,18)16-10-13-6-8-15-9-7-13/h3-5,13,15-16H,6-10H2,1-2H3
InChIKeyQFICZMXUNVFYEW-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968293
5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60912088
2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 114700187
2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720923
4-[(2-methylphenyl)sulfonylmethyl]piperidine
CID 96869588
2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 91647295
3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide
CID 80562775
3-methylsulfonyl-2-nitro-N-(piperidin-4-ylmethyl)aniline
CID 82000102
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720902
5-chloro-4-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 103100386
2,3-dimethyl-N-propylbenzenesulfonamide
CID 67800223
5-cyano-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563212

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide (CID 71564527) is 2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)NCC2CCNCC2)c1C.
What is the InChIKey of 2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide?
The InChIKey is QFICZMXUNVFYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-4-3-5-14(12(11)2)19(17,18)16-10-13-6-8-15-9-7-13/h3-5,13,15-16H,6-10H2,1-2H3.
What are the key properties of 2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide?
2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 71564527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).