2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide

C12H20N2O3S — CID 29273537

IUPAC2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(OC)cc1N
InChIInChI=1S/C12H20N2O3S/c1-4-9(5-2)14-18(15,16)12-7-6-10(17-3)8-11(12)13/h6-9,14H,4-5,13H2,1-3H3
InChIKeyIUPCACYQNBILDB-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.74
Rot. Bonds6

About 2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide

2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide (PubChem CID 29273537) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
PubChem CID29273537
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(OC)cc1N
InChIInChI=1S/C12H20N2O3S/c1-4-9(5-2)14-18(15,16)12-7-6-10(17-3)8-11(12)13/h6-9,14H,4-5,13H2,1-3H3
InChIKeyIUPCACYQNBILDB-UHFFFAOYSA-N
XLogP1.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide
CID 93081199
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
2-amino-N-(2,2-dimethylbutyl)-4-methoxybenzenesulfonamide
CID 103460076
2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43498596
3-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29269773
2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 43535590
methyl 3-amino-4-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]benzoate
CID 107213661
2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466241
2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzenesulfonamide
CID 62524804
2-amino-4-cyano-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 64897655
5-amino-4-bromo-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 81414481
2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081228

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide (CID 29273537) is 2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide is CCC(CC)NS(=O)(=O)c1ccc(OC)cc1N.
What is the InChIKey of 2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is IUPCACYQNBILDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-9(5-2)14-18(15,16)12-7-6-10(17-3)8-11(12)13/h6-9,14H,4-5,13H2,1-3H3.
What are the key properties of 2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide?
2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 29273537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).