2-amino-4-(2-cyanophenoxy)benzenesulfonamide

C13H11N3O3S — CID 79467163

IUPAC2-amino-4-(2-cyanophenoxy)benzenesulfonamide
SMILESN#Cc1ccccc1Oc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C13H11N3O3S/c14-8-9-3-1-2-4-12(9)19-10-5-6-13(11(15)7-10)20(16,17)18/h1-7H,15H2,(H2,16,17,18)
InChIKeyFLIYNFMRNNTVPJ-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.58
Rot. Bonds3

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

2-amino-4-(2-cyanophenoxy)benzenesulfonamide (PubChem CID 79467163) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-amino-4-(2-cyanophenoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(2-cyanophenoxy)benzenesulfonamide
PubChem CID79467163
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name2-amino-4-(2-cyanophenoxy)benzenesulfonamide
SMILESN#Cc1ccccc1Oc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C13H11N3O3S/c14-8-9-3-1-2-4-12(9)19-10-5-6-13(11(15)7-10)20(16,17)18/h1-7H,15H2,(H2,16,17,18)
InChIKeyFLIYNFMRNNTVPJ-UHFFFAOYSA-N
XLogP1.58
TPSA119.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide
CID 79466920
4-amino-3-(2-cyanophenoxy)benzenesulfonamide
CID 82900103
2-(4-amino-3-methoxyphenoxy)benzonitrile
CID 63677591
2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide
CID 79462441
2-(3,4-difluorophenoxy)benzonitrile
CID 43429840
2-amino-4-(3-methoxyphenoxy)benzenesulfonamide
CID 79467005
2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide
CID 79467353
ethyl 2-amino-5-(2-cyanophenoxy)benzoate
CID 61305610
4-(2-cyanophenoxy)benzamide
CID 28825078
2-(2-cyanophenoxy)benzonitrile
CID 13435570
2-amino-4-pyridin-3-yloxybenzenesulfonamide
CID 79467523
6-(2-cyanophenoxy)pyridine-3-sulfonamide
CID 112683212

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-cyanophenoxy)benzenesulfonamide?
The IUPAC name of 2-amino-4-(2-cyanophenoxy)benzenesulfonamide (CID 79467163) is 2-amino-4-(2-cyanophenoxy)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(2-cyanophenoxy)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(2-cyanophenoxy)benzenesulfonamide is N#Cc1ccccc1Oc1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-(2-cyanophenoxy)benzenesulfonamide?
The InChIKey is FLIYNFMRNNTVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c14-8-9-3-1-2-4-12(9)19-10-5-6-13(11(15)7-10)20(16,17)18/h1-7H,15H2,(H2,16,17,18).
What are the key properties of 2-amino-4-(2-cyanophenoxy)benzenesulfonamide?
2-amino-4-(2-cyanophenoxy)benzenesulfonamide has a molecular weight of 289.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-cyanophenoxy)benzenesulfonamide is sourced from PubChem (CID 79467163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).