N,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C14H22N2O2S — CID 57391693

IUPACN,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)C2CCN(C)CC2)c1
InChIInChI=1S/C14H22N2O2S/c1-12-5-4-6-14(11-12)19(17,18)16(3)13-7-9-15(2)10-8-13/h4-6,11,13H,7-10H2,1-3H3
InChIKeyXXXLFDTXRPCTJU-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.71
Rot. Bonds3

About N,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

N,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 57391693) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID57391693
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)C2CCN(C)CC2)c1
InChIInChI=1S/C14H22N2O2S/c1-12-5-4-6-14(11-12)19(17,18)16(3)13-7-9-15(2)10-8-13/h4-6,11,13H,7-10H2,1-3H3
InChIKeyXXXLFDTXRPCTJU-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,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of N,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 57391693) is N,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for N,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for N,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is Cc1cccc(S(=O)(=O)N(C)C2CCN(C)CC2)c1.
What is the InChIKey of N,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is XXXLFDTXRPCTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-5-4-6-14(11-12)19(17,18)16(3)13-7-9-15(2)10-8-13/h4-6,11,13H,7-10H2,1-3H3.
What are the key properties of N,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
N,3-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,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 57391693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).