3,4-dichloro-N-(1-ethylpiperidin-3-yl)benzenesulfonamide

C13H18Cl2N2O2S — CID 5012494

IUPAC3,4-dichloro-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H18Cl2N2O2S/c1-2-17-7-3-4-10(9-17)16-20(18,19)11-5-6-12(14)13(15)8-11/h5-6,8,10,16H,2-4,7,9H2,1H3
InChIKeyAMPYTXNFJQTCHU-UHFFFAOYSA-N
MW337.27 g/mol
LogP2.76
Rot. Bonds4

About 3,4-dichloro-N-(1-ethylpiperidin-3-yl)benzenesulfonamide

3,4-dichloro-N-(1-ethylpiperidin-3-yl)benzenesulfonamide (PubChem CID 5012494) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-ethylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
PubChem CID5012494
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC Name3,4-dichloro-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H18Cl2N2O2S/c1-2-17-7-3-4-10(9-17)16-20(18,19)11-5-6-12(14)13(15)8-11/h5-6,8,10,16H,2-4,7,9H2,1H3
InChIKeyAMPYTXNFJQTCHU-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-ethylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(1-ethylpiperidin-3-yl)benzenesulfonamide (CID 5012494) is 3,4-dichloro-N-(1-ethylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(1-ethylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(1-ethylpiperidin-3-yl)benzenesulfonamide is CCN1CCCC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 3,4-dichloro-N-(1-ethylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is AMPYTXNFJQTCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c1-2-17-7-3-4-10(9-17)16-20(18,19)11-5-6-12(14)13(15)8-11/h5-6,8,10,16H,2-4,7,9H2,1H3.
What are the key properties of 3,4-dichloro-N-(1-ethylpiperidin-3-yl)benzenesulfonamide?
3,4-dichloro-N-(1-ethylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 337.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1-ethylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 5012494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).