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

C12H20N2O3S — CID 43257004

IUPAC4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C12H20N2O3S/c1-4-10(5-2)14-18(15,16)12-7-6-9(13)8-11(12)17-3/h6-8,10,14H,4-5,13H2,1-3H3
InChIKeyXNCURQUFKJRAFI-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.74
Rot. Bonds6

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

4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide (PubChem CID 43257004) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
PubChem CID43257004
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C12H20N2O3S/c1-4-10(5-2)14-18(15,16)12-7-6-9(13)8-11(12)17-3/h6-8,10,14H,4-5,13H2,1-3H3
InChIKeyXNCURQUFKJRAFI-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

4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081166
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081165
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 106181722
4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
CID 61479238
4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65050020
5-amino-4-bromo-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 81414481
5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
CID 43255687
4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466272
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
3-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29269773
2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29273537
4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 43533120

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide (CID 43257004) is 4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide is CCC(CC)NS(=O)(=O)c1ccc(N)cc1OC.
What is the InChIKey of 4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is XNCURQUFKJRAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-10(5-2)14-18(15,16)12-7-6-9(13)8-11(12)17-3/h6-8,10,14H,4-5,13H2,1-3H3.
What are the key properties of 4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide?
4-amino-2-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 4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 43257004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).