N,4-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C14H22N2O2S — CID 2444416

IUPACN,4-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-12-4-6-14(7-5-12)19(17,18)16(3)13-8-10-15(2)11-9-13/h4-7,13H,8-11H2,1-3H3
InChIKeyKTFVJJTZAHUNDI-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.71
Rot. Bonds3

About N,4-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

N,4-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 2444416) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N,4-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID2444416
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN,4-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-12-4-6-14(7-5-12)19(17,18)16(3)13-8-10-15(2)11-9-13/h4-7,13H,8-11H2,1-3H3
InChIKeyKTFVJJTZAHUNDI-UHFFFAOYSA-N
XLogP1.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 2444416) is N,4-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1.
What is the InChIKey of N,4-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is KTFVJJTZAHUNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-4-6-14(7-5-12)19(17,18)16(3)13-8-10-15(2)11-9-13/h4-7,13H,8-11H2,1-3H3.
What are the key properties of N,4-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
N,4-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 2444416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).