2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide

C14H23N3O2S — CID 62146904

IUPAC2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)NC1CCCN(C)C1
InChIInChI=1S/C14H23N3O2S/c1-3-15-13-8-4-5-9-14(13)20(18,19)16-12-7-6-10-17(2)11-12/h4-5,8-9,12,15-16H,3,6-7,10-11H2,1-2H3
InChIKeyWGGBMSYOEYQKSH-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.49
Rot. Bonds5

About 2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide

2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 62146904) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID62146904
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)NC1CCCN(C)C1
InChIInChI=1S/C14H23N3O2S/c1-3-15-13-8-4-5-9-14(13)20(18,19)16-12-7-6-10-17(2)11-12/h4-5,8-9,12,15-16H,3,6-7,10-11H2,1-2H3
InChIKeyWGGBMSYOEYQKSH-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide (CID 62146904) is 2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide is CCNc1ccccc1S(=O)(=O)NC1CCCN(C)C1.
What is the InChIKey of 2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is WGGBMSYOEYQKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-15-13-8-4-5-9-14(13)20(18,19)16-12-7-6-10-17(2)11-12/h4-5,8-9,12,15-16H,3,6-7,10-11H2,1-2H3.
What are the key properties of 2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 62146904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).