4-amino-3-hexoxybenzenesulfonamide

C12H20N2O3S — CID 82898886

IUPAC4-amino-3-hexoxybenzenesulfonamide
SMILESCCCCCCOc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C12H20N2O3S/c1-2-3-4-5-8-17-12-9-10(18(14,15)16)6-7-11(12)13/h6-7,9H,2-5,8,13H2,1H3,(H2,14,15,16)
InChIKeyOLTUQMNIRDEBDA-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.88
Rot. Bonds7

About 4-amino-3-hexoxybenzenesulfonamide

4-amino-3-hexoxybenzenesulfonamide (PubChem CID 82898886) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-amino-3-hexoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-hexoxybenzenesulfonamide
PubChem CID82898886
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-amino-3-hexoxybenzenesulfonamide
SMILESCCCCCCOc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C12H20N2O3S/c1-2-3-4-5-8-17-12-9-10(18(14,15)16)6-7-11(12)13/h6-7,9H,2-5,8,13H2,1H3,(H2,14,15,16)
InChIKeyOLTUQMNIRDEBDA-UHFFFAOYSA-N
XLogP1.88
TPSA95.41 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 ≤ 51.88
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

4-amino-3-heptoxy-N,N-dimethylbenzenesulfonamide
CID 82902494
4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide
CID 82901534
4-amino-3-(2-propoxyethoxy)benzenesulfonamide
CID 82898491
3-bromo-4-nonoxybenzenesulfonamide
CID 43342292
4-amino-3-(2-ethoxyethoxy)benzenesulfonamide
CID 82900278
3-fluoro-4-octoxybenzenesulfonamide
CID 43342399
4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
CID 112587096
2-hexoxy-5-sulfamoylbenzoic acid
CID 43322679
4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide
CID 82898329
4-ethylsulfonyl-2-propoxyaniline
CID 63670906
4-butoxy-3-methylbenzenesulfonamide
CID 43164510
2-octoxyaniline
CID 14747235

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hexoxybenzenesulfonamide?
The IUPAC name of 4-amino-3-hexoxybenzenesulfonamide (CID 82898886) is 4-amino-3-hexoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-3-hexoxybenzenesulfonamide?
The canonical SMILES for 4-amino-3-hexoxybenzenesulfonamide is CCCCCCOc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-hexoxybenzenesulfonamide?
The InChIKey is OLTUQMNIRDEBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-2-3-4-5-8-17-12-9-10(18(14,15)16)6-7-11(12)13/h6-7,9H,2-5,8,13H2,1H3,(H2,14,15,16).
What are the key properties of 4-amino-3-hexoxybenzenesulfonamide?
4-amino-3-hexoxybenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hexoxybenzenesulfonamide is sourced from PubChem (CID 82898886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).