4-amino-3-(2-ethoxyanilino)benzenesulfonamide

C14H17N3O3S — CID 82900046

IUPAC4-amino-3-(2-ethoxyanilino)benzenesulfonamide
SMILESCCOc1ccccc1Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C14H17N3O3S/c1-2-20-14-6-4-3-5-12(14)17-13-9-10(21(16,18)19)7-8-11(13)15/h3-9,17H,2,15H2,1H3,(H2,16,18,19)
InChIKeyGGUUWYKPPDSGDD-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.06
Rot. Bonds5

About 4-amino-3-(2-ethoxyanilino)benzenesulfonamide

4-amino-3-(2-ethoxyanilino)benzenesulfonamide (PubChem CID 82900046) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-amino-3-(2-ethoxyanilino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-ethoxyanilino)benzenesulfonamide
PubChem CID82900046
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-amino-3-(2-ethoxyanilino)benzenesulfonamide
SMILESCCOc1ccccc1Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C14H17N3O3S/c1-2-20-14-6-4-3-5-12(14)17-13-9-10(21(16,18)19)7-8-11(13)15/h3-9,17H,2,15H2,1H3,(H2,16,18,19)
InChIKeyGGUUWYKPPDSGDD-UHFFFAOYSA-N
XLogP2.06
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine
CID 65343297
4-amino-3-(2-fluoroanilino)benzenesulfonamide
CID 82907833
4-amino-3-(2-iodoanilino)benzenesulfonamide
CID 82907987
4-amino-3-(4-propylanilino)benzenesulfonamide
CID 82900056
2-amino-5-(2-ethoxyanilino)benzamide
CID 61305584
1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine
CID 66065259
4-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 82899590
4-bromo-3-ethoxybenzenesulfonamide
CID 47000870
4-amino-3-(4-iodoanilino)benzenesulfonamide
CID 82907832
(2-ethoxyphenyl) 3-sulfamoylbenzenesulfonate
CID 31066432
2-ethoxy-N-(4-nitrophenyl)aniline
CID 4763832
4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide
CID 82900050

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-ethoxyanilino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(2-ethoxyanilino)benzenesulfonamide (CID 82900046) is 4-amino-3-(2-ethoxyanilino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-ethoxyanilino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-ethoxyanilino)benzenesulfonamide is CCOc1ccccc1Nc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-(2-ethoxyanilino)benzenesulfonamide?
The InChIKey is GGUUWYKPPDSGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-2-20-14-6-4-3-5-12(14)17-13-9-10(21(16,18)19)7-8-11(13)15/h3-9,17H,2,15H2,1H3,(H2,16,18,19).
What are the key properties of 4-amino-3-(2-ethoxyanilino)benzenesulfonamide?
4-amino-3-(2-ethoxyanilino)benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-ethoxyanilino)benzenesulfonamide is sourced from PubChem (CID 82900046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).