4-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C13H19ClN2O2S — CID 1129292

IUPAC4-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H19ClN2O2S/c1-15-9-7-12(8-10-15)16(2)19(17,18)13-5-3-11(14)4-6-13/h3-6,12H,7-10H2,1-2H3
InChIKeyWGYOBGCPSCGBPS-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.05
Rot. Bonds3

About 4-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

4-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 1129292) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID1129292
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name4-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H19ClN2O2S/c1-15-9-7-12(8-10-15)16(2)19(17,18)13-5-3-11(14)4-6-13/h3-6,12H,7-10H2,1-2H3
InChIKeyWGYOBGCPSCGBPS-UHFFFAOYSA-N
XLogP2.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 1129292) is 4-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CN1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is WGYOBGCPSCGBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-15-9-7-12(8-10-15)16(2)19(17,18)13-5-3-11(14)4-6-13/h3-6,12H,7-10H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
4-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 1129292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).