4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C14H23N3O2S — CID 62641660

IUPAC4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCCN2CCCC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-2-15-13-5-7-14(8-6-13)20(18,19)16-9-12-17-10-3-4-11-17/h5-8,15-16H,2-4,9-12H2,1H3
InChIKeyKYNWGZJUPMSVHI-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.49
Rot. Bonds7

About 4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 62641660) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID62641660
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCCN2CCCC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-2-15-13-5-7-14(8-6-13)20(18,19)16-9-12-17-10-3-4-11-17/h5-8,15-16H,2-4,9-12H2,1H3
InChIKeyKYNWGZJUPMSVHI-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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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Related Compounds

4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 143457102
N-[2-(azepan-1-yl)ethyl]-4-(bromomethyl)benzenesulfonamide
CID 65481222
4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80685575
4-iodo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 4988896
3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]propanoic acid
CID 45425049
4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide
CID 63002794
4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62640211
4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924583
4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106325962
N-[4-(2-piperazin-1-ylethylsulfamoyl)phenyl]propanamide
CID 119966333
6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide
CID 106327013
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide
CID 47812603

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 62641660) is 4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is CCNc1ccc(S(=O)(=O)NCCN2CCCC2)cc1.
What is the InChIKey of 4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is KYNWGZJUPMSVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-15-13-5-7-14(8-6-13)20(18,19)16-9-12-17-10-3-4-11-17/h5-8,15-16H,2-4,9-12H2,1H3.
What are the key properties of 4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 62641660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).