4-amino-3-(2-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide

C14H15FN2O3S — CID 107655559

IUPAC4-amino-3-(2-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(Oc2cccc(C)c2F)c1
InChIInChI=1S/C14H15FN2O3S/c1-9-4-3-5-12(14(9)15)20-13-8-10(6-7-11(13)16)21(18,19)17-2/h3-8,17H,16H2,1-2H3
InChIKeyVXDPSWGQSBPOPN-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.42
Rot. Bonds4

About 4-amino-3-(2-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide

4-amino-3-(2-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide (PubChem CID 107655559) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-amino-3-(2-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide
PubChem CID107655559
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name4-amino-3-(2-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(Oc2cccc(C)c2F)c1
InChIInChI=1S/C14H15FN2O3S/c1-9-4-3-5-12(14(9)15)20-13-8-10(6-7-11(13)16)21(18,19)17-2/h3-8,17H,16H2,1-2H3
InChIKeyVXDPSWGQSBPOPN-UHFFFAOYSA-N
XLogP2.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.42
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-methylbenzenesulfonamide
CID 82900666
4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide
CID 82902916
4-amino-N-ethyl-3-(2-methylphenoxy)benzenesulfonamide
CID 82903326
4-amino-3-(4-bromo-2-chlorophenoxy)-N-methylbenzenesulfonamide
CID 82902175
3-amino-4-(2,3-dichlorophenoxy)-N-methylbenzenesulfonamide
CID 43449302
4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide
CID 107655446
3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide
CID 43479573
2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide
CID 107655417
4-fluoro-N,3,5-trimethylbenzenesulfonamide
CID 130161057
4-amino-N-methyl-3-(4,4,4-trifluorobutoxy)benzenesulfonamide
CID 82900533
4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442347
4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide
CID 82902167

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(2-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide (CID 107655559) is 4-amino-3-(2-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(Oc2cccc(C)c2F)c1.
What is the InChIKey of 4-amino-3-(2-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide?
The InChIKey is VXDPSWGQSBPOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-9-4-3-5-12(14(9)15)20-13-8-10(6-7-11(13)16)21(18,19)17-2/h3-8,17H,16H2,1-2H3.
What are the key properties of 4-amino-3-(2-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide?
4-amino-3-(2-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 2.42, 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-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 107655559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).