5-amino-N-butyl-2-ethoxybenzenesulfonamide

C12H20N2O3S — CID 43662916

IUPAC5-amino-N-butyl-2-ethoxybenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1cc(N)ccc1OCC
InChIInChI=1S/C12H20N2O3S/c1-3-5-8-14-18(15,16)12-9-10(13)6-7-11(12)17-4-2/h6-7,9,14H,3-5,8,13H2,1-2H3
InChIKeyRWTJQFMPDMARMB-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.75
Rot. Bonds7

About 5-amino-N-butyl-2-ethoxybenzenesulfonamide

5-amino-N-butyl-2-ethoxybenzenesulfonamide (PubChem CID 43662916) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-amino-N-butyl-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-butyl-2-ethoxybenzenesulfonamide
PubChem CID43662916
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name5-amino-N-butyl-2-ethoxybenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1cc(N)ccc1OCC
InChIInChI=1S/C12H20N2O3S/c1-3-5-8-14-18(15,16)12-9-10(13)6-7-11(12)17-4-2/h6-7,9,14H,3-5,8,13H2,1-2H3
InChIKeyRWTJQFMPDMARMB-UHFFFAOYSA-N
XLogP1.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 43662895
5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104762819
5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
CID 113303848
5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43662942
5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231475
5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63831793
2-ethoxy-5-methyl-N-propylbenzenesulfonamide
CID 54449996
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide
CID 62118600
5-amino-2-ethoxy-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 63836966
5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43662989
2,4-diethoxy-N-octylbenzenesulfonamide
CID 67803858

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-2-ethoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-butyl-2-ethoxybenzenesulfonamide (CID 43662916) is 5-amino-N-butyl-2-ethoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-butyl-2-ethoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-butyl-2-ethoxybenzenesulfonamide is CCCCNS(=O)(=O)c1cc(N)ccc1OCC.
What is the InChIKey of 5-amino-N-butyl-2-ethoxybenzenesulfonamide?
The InChIKey is RWTJQFMPDMARMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-5-8-14-18(15,16)12-9-10(13)6-7-11(12)17-4-2/h6-7,9,14H,3-5,8,13H2,1-2H3.
What are the key properties of 5-amino-N-butyl-2-ethoxybenzenesulfonamide?
5-amino-N-butyl-2-ethoxybenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 43662916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).