3-amino-5-[(2-fluoro-4-methylphenyl)methoxy]benzenesulfonamide

C14H15FN2O3S — CID 134590196

IUPAC3-amino-5-[(2-fluoro-4-methylphenyl)methoxy]benzenesulfonamide
SMILESCc1ccc(COc2cc(N)cc(S(N)(=O)=O)c2)c(F)c1
InChIInChI=1S/C14H15FN2O3S/c1-9-2-3-10(14(15)4-9)8-20-12-5-11(16)6-13(7-12)21(17,18)19/h2-7H,8,16H2,1H3,(H2,17,18,19)
InChIKeyVMRTVMWDIWOADK-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.94
Rot. Bonds4

About 3-amino-5-[(2-fluoro-4-methylphenyl)methoxy]benzenesulfonamide

3-amino-5-[(2-fluoro-4-methylphenyl)methoxy]benzenesulfonamide (PubChem CID 134590196) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-amino-5-[(2-fluoro-4-methylphenyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-[(2-fluoro-4-methylphenyl)methoxy]benzenesulfonamide
PubChem CID134590196
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name3-amino-5-[(2-fluoro-4-methylphenyl)methoxy]benzenesulfonamide
SMILESCc1ccc(COc2cc(N)cc(S(N)(=O)=O)c2)c(F)c1
InChIInChI=1S/C14H15FN2O3S/c1-9-2-3-10(14(15)4-9)8-20-12-5-11(16)6-13(7-12)21(17,18)19/h2-7H,8,16H2,1H3,(H2,17,18,19)
InChIKeyVMRTVMWDIWOADK-UHFFFAOYSA-N
XLogP1.94
TPSA95.41 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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2-fluoro-4-methylphenyl)methoxy]benzenesulfonamide?
The IUPAC name of 3-amino-5-[(2-fluoro-4-methylphenyl)methoxy]benzenesulfonamide (CID 134590196) is 3-amino-5-[(2-fluoro-4-methylphenyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-[(2-fluoro-4-methylphenyl)methoxy]benzenesulfonamide?
The canonical SMILES for 3-amino-5-[(2-fluoro-4-methylphenyl)methoxy]benzenesulfonamide is Cc1ccc(COc2cc(N)cc(S(N)(=O)=O)c2)c(F)c1.
What is the InChIKey of 3-amino-5-[(2-fluoro-4-methylphenyl)methoxy]benzenesulfonamide?
The InChIKey is VMRTVMWDIWOADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-9-2-3-10(14(15)4-9)8-20-12-5-11(16)6-13(7-12)21(17,18)19/h2-7H,8,16H2,1H3,(H2,17,18,19).
What are the key properties of 3-amino-5-[(2-fluoro-4-methylphenyl)methoxy]benzenesulfonamide?
3-amino-5-[(2-fluoro-4-methylphenyl)methoxy]benzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2-fluoro-4-methylphenyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 134590196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).