4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide

C14H22N2O3S — CID 82164625

IUPAC4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCCCC(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-5-14(17)12-6-8-13(9-7-12)20(18,19)15-10-11-16(2)3/h6-9,15H,4-5,10-11H2,1-3H3
InChIKeyGXHUYPXPQYWODP-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.51
Rot. Bonds8

About 4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide

4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 82164625) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID82164625
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCCCC(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-5-14(17)12-6-8-13(9-7-12)20(18,19)15-10-11-16(2)3/h6-9,15H,4-5,10-11H2,1-3H3
InChIKeyGXHUYPXPQYWODP-UHFFFAOYSA-N
XLogP1.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide
CID 109060155
4-butanoyl-N-(2-hydroxypropyl)benzenesulfonamide
CID 82164615
2-[(4-butanoylphenyl)sulfonylamino]acetic acid
CID 82164610
N-[2-(4-butanoylphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 70422383
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058420
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
CID 39384795
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
4-(2-chloroacetyl)-N-pentylbenzenesulfonamide
CID 82165572
4-butanoyl-N-phenylbenzenesulfonamide
CID 82164605
4-acetyl-N-propylbenzenesulfonamide
CID 2064043

Frequently Asked Questions

What is the IUPAC name of 4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide (CID 82164625) is 4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide is CCCC(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1.
What is the InChIKey of 4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is GXHUYPXPQYWODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-5-14(17)12-6-8-13(9-7-12)20(18,19)15-10-11-16(2)3/h6-9,15H,4-5,10-11H2,1-3H3.
What are the key properties of 4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 82164625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).