4-amino-N-(3-ethylphenyl)butane-1-sulfonamide

C12H20N2O2S — CID 54952501

IUPAC4-amino-N-(3-ethylphenyl)butane-1-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)CCCCN)c1
InChIInChI=1S/C12H20N2O2S/c1-2-11-6-5-7-12(10-11)14-17(15,16)9-4-3-8-13/h5-7,10,14H,2-4,8-9,13H2,1H3
InChIKeyXAUBMAXLDURMMD-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.73
Rot. Bonds7

About 4-amino-N-(3-ethylphenyl)butane-1-sulfonamide

4-amino-N-(3-ethylphenyl)butane-1-sulfonamide (PubChem CID 54952501) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-amino-N-(3-ethylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-ethylphenyl)butane-1-sulfonamide
PubChem CID54952501
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-amino-N-(3-ethylphenyl)butane-1-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)CCCCN)c1
InChIInChI=1S/C12H20N2O2S/c1-2-11-6-5-7-12(10-11)14-17(15,16)9-4-3-8-13/h5-7,10,14H,2-4,8-9,13H2,1H3
InChIKeyXAUBMAXLDURMMD-UHFFFAOYSA-N
XLogP1.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.73
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

N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide
CID 61456491
4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide
CID 61456563
3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide
CID 54967740
2-[(3-ethylphenyl)sulfamoyl]acetic acid
CID 28773818
N-(3-aminophenyl)butane-1-sulfonamide
CID 16778445
4-chloro-N-[3-[(dimethylamino)methyl]phenyl]butane-1-sulfonamide
CID 116815596
3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide
CID 54944840
N-[3-(methoxymethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
CID 106002772
3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide
CID 60909550
N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide
CID 22205844
N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide
CID 3585526
(3-ethylphenyl)hydrazine;sulfuric acid
CID 138619674

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethylphenyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(3-ethylphenyl)butane-1-sulfonamide (CID 54952501) is 4-amino-N-(3-ethylphenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(3-ethylphenyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(3-ethylphenyl)butane-1-sulfonamide is CCc1cccc(NS(=O)(=O)CCCCN)c1.
What is the InChIKey of 4-amino-N-(3-ethylphenyl)butane-1-sulfonamide?
The InChIKey is XAUBMAXLDURMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-11-6-5-7-12(10-11)14-17(15,16)9-4-3-8-13/h5-7,10,14H,2-4,8-9,13H2,1H3.
What are the key properties of 4-amino-N-(3-ethylphenyl)butane-1-sulfonamide?
4-amino-N-(3-ethylphenyl)butane-1-sulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 54952501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).