3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide

C12H20N2O2S — CID 43257148

IUPAC3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)C(C)C)cc1N
InChIInChI=1S/C12H20N2O2S/c1-5-10-6-7-11(8-12(10)13)17(15,16)14(4)9(2)3/h6-9H,5,13H2,1-4H3
InChIKeyUWIRZLDADGXZFQ-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.86
Rot. Bonds4

About 3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide

3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 43257148) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID43257148
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)C(C)C)cc1N
InChIInChI=1S/C12H20N2O2S/c1-5-10-6-7-11(8-12(10)13)17(15,16)14(4)9(2)3/h6-9H,5,13H2,1-4H3
InChIKeyUWIRZLDADGXZFQ-UHFFFAOYSA-N
XLogP1.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylbenzenesulfonamide
CID 61112938
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid
CID 154206653
3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257349
3-amino-4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 104550970
3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257998
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947619
3-amino-4-chloro-N-(1-cyanopropan-2-yl)-N-methylbenzenesulfonamide
CID 55174715
methyl 2-[(3-amino-4-ethylphenyl)sulfonyl-methylamino]acetate
CID 43258543
3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 62860940
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61114511

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide (CID 43257148) is 3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide is CCc1ccc(S(=O)(=O)N(C)C(C)C)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is UWIRZLDADGXZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-10-6-7-11(8-12(10)13)17(15,16)14(4)9(2)3/h6-9H,5,13H2,1-4H3.
What are the key properties of 3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide?
3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43257148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).