4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide

C17H21FN2O2S — CID 46534961

IUPAC4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C17H21FN2O2S/c1-14-13-15(18)9-10-17(14)23(21,22)19-11-6-12-20(2)16-7-4-3-5-8-16/h3-5,7-10,13,19H,6,11-12H2,1-2H3
InChIKeyJXSJTONGGGUODX-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.94
Rot. Bonds7

About 4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide

4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide (PubChem CID 46534961) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
PubChem CID46534961
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC Name4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C17H21FN2O2S/c1-14-13-15(18)9-10-17(14)23(21,22)19-11-6-12-20(2)16-7-4-3-5-8-16/h3-5,7-10,13,19H,6,11-12H2,1-2H3
InChIKeyJXSJTONGGGUODX-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 39622537
4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
CID 106846623
N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide
CID 38257263
N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide
CID 47013259
N-(6-chlorohexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114008823
4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609122
4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
CID 110408299
4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide
CID 84505251
N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 61343636
N-[4-(dimethylamino)phenyl]-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113062231
8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide
CID 3842166
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994823

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide (CID 46534961) is 4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCCCN(C)c1ccccc1.
What is the InChIKey of 4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide?
The InChIKey is JXSJTONGGGUODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c1-14-13-15(18)9-10-17(14)23(21,22)19-11-6-12-20(2)16-7-4-3-5-8-16/h3-5,7-10,13,19H,6,11-12H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide has a molecular weight of 336.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide is sourced from PubChem (CID 46534961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).