2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide

C14H23N3O2S — CID 62145800

IUPAC2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)NCC1CCN(C)C1
InChIInChI=1S/C14H23N3O2S/c1-3-15-13-6-4-5-7-14(13)20(18,19)16-10-12-8-9-17(2)11-12/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyKJHXIZGREGYXEB-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.35
Rot. Bonds6

About 2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide

2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide (PubChem CID 62145800) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
PubChem CID62145800
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)NCC1CCN(C)C1
InChIInChI=1S/C14H23N3O2S/c1-3-15-13-6-4-5-7-14(13)20(18,19)16-10-12-8-9-17(2)11-12/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyKJHXIZGREGYXEB-UHFFFAOYSA-N
XLogP1.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.35
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-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide (CID 62145800) is 2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide is CCNc1ccccc1S(=O)(=O)NCC1CCN(C)C1.
What is the InChIKey of 2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is KJHXIZGREGYXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-15-13-6-4-5-7-14(13)20(18,19)16-10-12-8-9-17(2)11-12/h4-7,12,15-16H,3,8-11H2,1-2H3.
What are the key properties of 2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 62145800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).