N-[butyl(methyl)sulfamoyl]-4-fluoro-2-methoxy-N-methylaniline

C13H21FN2O3S — CID 75421838

IUPACN-[butyl(methyl)sulfamoyl]-4-fluoro-2-methoxy-N-methylaniline
SMILESCCCCN(C)S(=O)(=O)N(C)c1ccc(F)cc1OC
InChIInChI=1S/C13H21FN2O3S/c1-5-6-9-15(2)20(17,18)16(3)12-8-7-11(14)10-13(12)19-4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyGBINVOSITYOZMF-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.25
Rot. Bonds7

About N-[butyl(methyl)sulfamoyl]-4-fluoro-2-methoxy-N-methylaniline

N-[butyl(methyl)sulfamoyl]-4-fluoro-2-methoxy-N-methylaniline (PubChem CID 75421838) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[butyl(methyl)sulfamoyl]-4-fluoro-2-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[butyl(methyl)sulfamoyl]-4-fluoro-2-methoxy-N-methylaniline
PubChem CID75421838
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC NameN-[butyl(methyl)sulfamoyl]-4-fluoro-2-methoxy-N-methylaniline
SMILESCCCCN(C)S(=O)(=O)N(C)c1ccc(F)cc1OC
InChIInChI=1S/C13H21FN2O3S/c1-5-6-9-15(2)20(17,18)16(3)12-8-7-11(14)10-13(12)19-4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyGBINVOSITYOZMF-UHFFFAOYSA-N
XLogP2.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 410747
1-Butyl-4-(2-methoxy-phenyl)-piperazine
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CID 10376185
1-(2-Methoxyphenyl)-4-pentylpiperazine
CID 10422832
1-(2-Methoxyphenyl)-4-methylpiperazine
CID 9859120
Benzenamine, 2-methoxy-N,N-dimethyl-
CID 136536
2-((2-Methoxyphenyl)amino)ethanol
CID 76238
2-[4-(2-Methoxyphenyl)piperazin-1-yl]acetonitrile
CID 2741922
2-Methoxyformanilide
CID 243581
Methanesulfonic acid, 1-[(2-methoxyphenyl)amino]-, sodium salt (1:1)
CID 23668638
N1-(2-methoxyphenyl)-N4-hexylpiperazine
CID 11778231
o-Anisidino-acetonitrile
CID 34227

Frequently Asked Questions

What is the IUPAC name of N-[butyl(methyl)sulfamoyl]-4-fluoro-2-methoxy-N-methylaniline?
The IUPAC name of N-[butyl(methyl)sulfamoyl]-4-fluoro-2-methoxy-N-methylaniline (CID 75421838) is N-[butyl(methyl)sulfamoyl]-4-fluoro-2-methoxy-N-methylaniline.
What is the SMILES notation for N-[butyl(methyl)sulfamoyl]-4-fluoro-2-methoxy-N-methylaniline?
The canonical SMILES for N-[butyl(methyl)sulfamoyl]-4-fluoro-2-methoxy-N-methylaniline is CCCCN(C)S(=O)(=O)N(C)c1ccc(F)cc1OC.
What is the InChIKey of N-[butyl(methyl)sulfamoyl]-4-fluoro-2-methoxy-N-methylaniline?
The InChIKey is GBINVOSITYOZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-5-6-9-15(2)20(17,18)16(3)12-8-7-11(14)10-13(12)19-4/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of N-[butyl(methyl)sulfamoyl]-4-fluoro-2-methoxy-N-methylaniline?
N-[butyl(methyl)sulfamoyl]-4-fluoro-2-methoxy-N-methylaniline has a molecular weight of 304.39 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl(methyl)sulfamoyl]-4-fluoro-2-methoxy-N-methylaniline is sourced from PubChem (CID 75421838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).