4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide

C13H13ClN2O3S — CID 82900666

IUPAC4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(Oc2ccccc2Cl)c1
InChIInChI=1S/C13H13ClN2O3S/c1-16-20(17,18)9-6-7-11(15)13(8-9)19-12-5-3-2-4-10(12)14/h2-8,16H,15H2,1H3
InChIKeyFHAKBRYMWLZZOU-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.62
Rot. Bonds4

About 4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide

4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide (PubChem CID 82900666) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide
PubChem CID82900666
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(Oc2ccccc2Cl)c1
InChIInChI=1S/C13H13ClN2O3S/c1-16-20(17,18)9-6-7-11(15)13(8-9)19-12-5-3-2-4-10(12)14/h2-8,16H,15H2,1H3
InChIKeyFHAKBRYMWLZZOU-UHFFFAOYSA-N
XLogP2.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.62
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

4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide
CID 82902167
4-amino-3-(4-bromo-2-chlorophenoxy)-N-methylbenzenesulfonamide
CID 82902175
3-amino-4-(2,3-dichlorophenoxy)-N-methylbenzenesulfonamide
CID 43449302
4-amino-3-(2-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide
CID 107655559
3-amino-4-(2,4-dichlorophenoxy)-N-methylbenzenesulfonamide
CID 43449278
4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide
CID 82902916
3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide
CID 43479573
4-amino-N-ethyl-3-(2-methylphenoxy)benzenesulfonamide
CID 82903326
4-amino-3-[(2-chlorophenyl)methylsulfanyl]-N-methylbenzenesulfonamide
CID 103288261
3-amino-4-(2-bromo-4-chlorophenoxy)-N-methylbenzenesulfonamide
CID 43449283
4-amino-3-(2-methoxyphenoxy)benzenesulfonamide
CID 82899200
4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442347

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide (CID 82900666) is 4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(Oc2ccccc2Cl)c1.
What is the InChIKey of 4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide?
The InChIKey is FHAKBRYMWLZZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-16-20(17,18)9-6-7-11(15)13(8-9)19-12-5-3-2-4-10(12)14/h2-8,16H,15H2,1H3.
What are the key properties of 4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide?
4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 82900666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).