2-amino-4-(2-methylpentoxy)benzenesulfonamide

C12H20N2O3S — CID 103282924

IUPAC2-amino-4-(2-methylpentoxy)benzenesulfonamide
SMILESCCCC(C)COc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C12H20N2O3S/c1-3-4-9(2)8-17-10-5-6-12(11(13)7-10)18(14,15)16/h5-7,9H,3-4,8,13H2,1-2H3,(H2,14,15,16)
InChIKeyPQQFOUPIGIQCLX-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.73
Rot. Bonds6

About 2-amino-4-(2-methylpentoxy)benzenesulfonamide

2-amino-4-(2-methylpentoxy)benzenesulfonamide (PubChem CID 103282924) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-amino-4-(2-methylpentoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(2-methylpentoxy)benzenesulfonamide
PubChem CID103282924
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-amino-4-(2-methylpentoxy)benzenesulfonamide
SMILESCCCC(C)COc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C12H20N2O3S/c1-3-4-9(2)8-17-10-5-6-12(11(13)7-10)18(14,15)16/h5-7,9H,3-4,8,13H2,1-2H3,(H2,14,15,16)
InChIKeyPQQFOUPIGIQCLX-UHFFFAOYSA-N
XLogP1.73
TPSA95.41 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 ≤ 51.73
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-4-pentan-2-yloxybenzenesulfonamide
CID 102980405
2-methoxy-4-(2-methylpentoxy)aniline
CID 103282930
2-amino-5-(2-methylpentoxy)benzamide
CID 103284498
5-methoxy-2-(2-methylpentoxy)aniline
CID 62266736
2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide
CID 79467435
2-amino-4-phenylmethoxybenzenesulfonamide
CID 79466915
2-bromo-1-fluoro-4-(2-methylpentoxy)benzene
CID 83233407
5-(2-methylpentoxy)-2,3-dihydroinden-1-one
CID 107684058
2-methylpentyl 2,6-difluoro-3-sulfamoylbenzoate
CID 103286218
1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine
CID 103284016
5-methyl-2-(2-methylpentylsulfonyl)aniline
CID 81193186
1-[4-(2-methylpentoxy)-2-nitrophenyl]ethanone
CID 103283993

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methylpentoxy)benzenesulfonamide?
The IUPAC name of 2-amino-4-(2-methylpentoxy)benzenesulfonamide (CID 103282924) is 2-amino-4-(2-methylpentoxy)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(2-methylpentoxy)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(2-methylpentoxy)benzenesulfonamide is CCCC(C)COc1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-(2-methylpentoxy)benzenesulfonamide?
The InChIKey is PQQFOUPIGIQCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-4-9(2)8-17-10-5-6-12(11(13)7-10)18(14,15)16/h5-7,9H,3-4,8,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-amino-4-(2-methylpentoxy)benzenesulfonamide?
2-amino-4-(2-methylpentoxy)benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methylpentoxy)benzenesulfonamide is sourced from PubChem (CID 103282924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).