3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide

C15H17FN2O2S — CID 43256607

IUPAC3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C15H17FN2O2S/c1-11-6-14(17)9-15(7-11)21(19,20)18(2)10-12-4-3-5-13(16)8-12/h3-9H,10,17H2,1-2H3
InChIKeyVPISNTALJDNJLV-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.54
Rot. Bonds4

About 3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide

3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide (PubChem CID 43256607) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide
PubChem CID43256607
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C15H17FN2O2S/c1-11-6-14(17)9-15(7-11)21(19,20)18(2)10-12-4-3-5-13(16)8-12/h3-9H,10,17H2,1-2H3
InChIKeyVPISNTALJDNJLV-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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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 31534239
3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide
CID 43263056
N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 47103944
3-amino-N-[(3-fluorophenyl)methyl]-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358201
N-[(3-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31391407
5-[(3-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid
CID 29077645
N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 78793283
3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 63322045
N-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide
CID 103300825
3-fluoro-N-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]benzenesulfonamide
CID 166402631
3-amino-N,5-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 64512724
3-amino-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzenesulfonamide
CID 64512154

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide (CID 43256607) is 3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)N(C)Cc2cccc(F)c2)c1.
What is the InChIKey of 3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide?
The InChIKey is VPISNTALJDNJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11-6-14(17)9-15(7-11)21(19,20)18(2)10-12-4-3-5-13(16)8-12/h3-9H,10,17H2,1-2H3.
What are the key properties of 3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide?
3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide 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 3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43256607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).