3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide

C12H20N2O2S — CID 43256978

IUPAC3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(C)C)cc1N
InChIInChI=1S/C12H20N2O2S/c1-4-10-5-6-11(7-12(10)13)17(15,16)14-8-9(2)3/h5-7,9,14H,4,8,13H2,1-3H3
InChIKeyZSBGOQRMTPSAGY-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.77
Rot. Bonds5

About 3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide

3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 43256978) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID43256978
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(C)C)cc1N
InChIInChI=1S/C12H20N2O2S/c1-4-10-5-6-11(7-12(10)13)17(15,16)14-8-9(2)3/h5-7,9,14H,4,8,13H2,1-3H3
InChIKeyZSBGOQRMTPSAGY-UHFFFAOYSA-N
XLogP1.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(3-amino-4-ethylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213720
3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide
CID 61168643
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
2-[(3-amino-4-ethylphenyl)sulfonylamino]acetamide
CID 43257083
3-amino-4-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034450
3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79352793
4-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 112737375
3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 43258870
N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 43552681
3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66352299
3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60904241
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide (CID 43256978) is 3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)NCC(C)C)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is ZSBGOQRMTPSAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-10-5-6-11(7-12(10)13)17(15,16)14-8-9(2)3/h5-7,9,14H,4,8,13H2,1-3H3.
What are the key properties of 3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide?
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 43256978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).