2-amino-4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide

C15H17FN2O2S — CID 43576164

IUPAC2-amino-4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CN(C)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C15H17FN2O2S/c1-11-5-3-4-6-12(11)10-18(2)21(19,20)15-8-7-13(16)9-14(15)17/h3-9H,10,17H2,1-2H3
InChIKeyVKFHISAYCNZISO-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.54
Rot. Bonds4

About 2-amino-4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide

2-amino-4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 43576164) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID43576164
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-amino-4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CN(C)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C15H17FN2O2S/c1-11-5-3-4-6-12(11)10-18(2)21(19,20)15-8-7-13(16)9-14(15)17/h3-9H,10,17H2,1-2H3
InChIKeyVKFHISAYCNZISO-UHFFFAOYSA-N
XLogP2.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 43576164) is 2-amino-4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide is Cc1ccccc1CN(C)S(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is VKFHISAYCNZISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11-5-3-4-6-12(11)10-18(2)21(19,20)15-8-7-13(16)9-14(15)17/h3-9H,10,17H2,1-2H3.
What are the key properties of 2-amino-4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
2-amino-4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 43576164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).