N-ethyl-2-(4-methylpentylamino)benzenesulfonamide

C14H24N2O2S — CID 54913733

IUPACN-ethyl-2-(4-methylpentylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCCCC(C)C
InChIInChI=1S/C14H24N2O2S/c1-4-16-19(17,18)14-10-6-5-9-13(14)15-11-7-8-12(2)3/h5-6,9-10,12,15-16H,4,7-8,11H2,1-3H3
InChIKeyAWZAQCXHGAFMIJ-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.83
Rot. Bonds8

About N-ethyl-2-(4-methylpentylamino)benzenesulfonamide

N-ethyl-2-(4-methylpentylamino)benzenesulfonamide (PubChem CID 54913733) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-ethyl-2-(4-methylpentylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methylpentylamino)benzenesulfonamide
PubChem CID54913733
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-ethyl-2-(4-methylpentylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCCCC(C)C
InChIInChI=1S/C14H24N2O2S/c1-4-16-19(17,18)14-10-6-5-9-13(14)15-11-7-8-12(2)3/h5-6,9-10,12,15-16H,4,7-8,11H2,1-3H3
InChIKeyAWZAQCXHGAFMIJ-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethylsulfonyl-N-(4-methylpentyl)aniline
CID 54913636
N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide
CID 54907058
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide
CID 113287642
N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide
CID 113465748
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide
CID 62640898
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
2-[2-(ethylsulfamoyl)anilino]propanoic acid
CID 43468803
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylpentylamino)benzenesulfonamide?
The IUPAC name of N-ethyl-2-(4-methylpentylamino)benzenesulfonamide (CID 54913733) is N-ethyl-2-(4-methylpentylamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-(4-methylpentylamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-2-(4-methylpentylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccccc1NCCCC(C)C.
What is the InChIKey of N-ethyl-2-(4-methylpentylamino)benzenesulfonamide?
The InChIKey is AWZAQCXHGAFMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-16-19(17,18)14-10-6-5-9-13(14)15-11-7-8-12(2)3/h5-6,9-10,12,15-16H,4,7-8,11H2,1-3H3.
What are the key properties of N-ethyl-2-(4-methylpentylamino)benzenesulfonamide?
N-ethyl-2-(4-methylpentylamino)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylpentylamino)benzenesulfonamide is sourced from PubChem (CID 54913733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).