2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide

C12H20N2O3S — CID 43265430

IUPAC2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1ccc(OC)cc1N
InChIInChI=1S/C12H20N2O3S/c1-5-14(9(2)3)18(15,16)12-7-6-10(17-4)8-11(12)13/h6-9H,5,13H2,1-4H3
InChIKeyFSRNCMSSDHJXCZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.70
Rot. Bonds5

About 2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide

2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide (PubChem CID 43265430) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide
PubChem CID43265430
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1ccc(OC)cc1N
InChIInChI=1S/C12H20N2O3S/c1-5-14(9(2)3)18(15,16)12-7-6-10(17-4)8-11(12)13/h6-9H,5,13H2,1-4H3
InChIKeyFSRNCMSSDHJXCZ-UHFFFAOYSA-N
XLogP1.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide
CID 43576037
2-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61116633
3-amino-4-[ethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 81470891
2-amino-N-benzyl-4-methoxy-N-methylbenzenesulfonamide
CID 29278456
2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 61113499
2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29273537
2-amino-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948431
4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265441
2-butan-2-ylsulfonyl-4-methoxyaniline
CID 81207556
3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 43265428
2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 63401799
5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43265424

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide (CID 43265430) is 2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide is CCN(C(C)C)S(=O)(=O)c1ccc(OC)cc1N.
What is the InChIKey of 2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide?
The InChIKey is FSRNCMSSDHJXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-5-14(9(2)3)18(15,16)12-7-6-10(17-4)8-11(12)13/h6-9H,5,13H2,1-4H3.
What are the key properties of 2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide?
2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43265430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).