4-phenoxy-N-(propylsulfamoyl)aniline

C15H18N2O3S — CID 110425619

IUPAC4-phenoxy-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-2-12-16-21(18,19)17-13-8-10-15(11-9-13)20-14-6-4-3-5-7-14/h3-11,16-17H,2,12H2,1H3
InChIKeyXJHPHFPKCAUJAL-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.14
Rot. Bonds7

About 4-phenoxy-N-(propylsulfamoyl)aniline

4-phenoxy-N-(propylsulfamoyl)aniline (PubChem CID 110425619) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-phenoxy-N-(propylsulfamoyl)aniline.

Molecular Properties

Compound Name4-phenoxy-N-(propylsulfamoyl)aniline
PubChem CID110425619
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-phenoxy-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-2-12-16-21(18,19)17-13-8-10-15(11-9-13)20-14-6-4-3-5-7-14/h3-11,16-17H,2,12H2,1H3
InChIKeyXJHPHFPKCAUJAL-UHFFFAOYSA-N
XLogP3.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline
CID 59962132
4-(propylsulfamoylamino)benzenesulfonamide
CID 114812408
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide
CID 110606791
N-(4-phenoxyphenyl)-1-phenylmethanesulfonamide
CID 8512912
N-butyl-4-phenoxyaniline
CID 4712110
1-phenoxy-N-propylmethanesulfonamide
CID 67759583
4-methyl-1-N-(propylsulfamoyl)benzene-1,3-diamine
CID 114804266
N-(4-phenoxyphenyl)-2-(propylamino)acetamide
CID 54818609
2-methoxy-4-(propylsulfamoylamino)benzoic acid
CID 107208921
N-hexyl-4-phenoxyaniline
CID 28876890
N-heptyl-4-phenoxyaniline
CID 43129191

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(propylsulfamoyl)aniline?
The IUPAC name of 4-phenoxy-N-(propylsulfamoyl)aniline (CID 110425619) is 4-phenoxy-N-(propylsulfamoyl)aniline.
What is the SMILES notation for 4-phenoxy-N-(propylsulfamoyl)aniline?
The canonical SMILES for 4-phenoxy-N-(propylsulfamoyl)aniline is CCCNS(=O)(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-N-(propylsulfamoyl)aniline?
The InChIKey is XJHPHFPKCAUJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-12-16-21(18,19)17-13-8-10-15(11-9-13)20-14-6-4-3-5-7-14/h3-11,16-17H,2,12H2,1H3.
What are the key properties of 4-phenoxy-N-(propylsulfamoyl)aniline?
4-phenoxy-N-(propylsulfamoyl)aniline has a molecular weight of 306.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(propylsulfamoyl)aniline is sourced from PubChem (CID 110425619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).