4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline

C19H20N2O3S — CID 59962132

IUPAC4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C19H20N2O3S/c1-2-14-20-25(22,23)21-16-10-12-17(13-11-16)24-19-9-5-7-15-6-3-4-8-18(15)19/h3-13,20-21H,2,14H2,1H3
InChIKeyKZWPSXIWWOHTFY-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.29
Rot. Bonds7

About 4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline

4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline (PubChem CID 59962132) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline.

Molecular Properties

Compound Name4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline
PubChem CID59962132
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C19H20N2O3S/c1-2-14-20-25(22,23)21-16-10-12-17(13-11-16)24-19-9-5-7-15-6-3-4-8-18(15)19/h3-13,20-21H,2,14H2,1H3
InChIKeyKZWPSXIWWOHTFY-UHFFFAOYSA-N
XLogP4.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_B(4)', 'substructure': 'N/A'}

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Related Compounds

4-phenoxy-N-(propylsulfamoyl)aniline
CID 110425619
N-[4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 58834881
4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid
CID 58834889
1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene
CID 59897977
N-(4-phenoxyphenyl)naphthalene-1-sulfonamide
CID 134137484
4-(2-aminophenoxy)-N-propylbenzenesulfonamide
CID 61026793
4-naphthalen-1-yloxybenzaldehyde
CID 19069208
3,4,5-trimethoxy-N-(propylsulfamoyl)aniline
CID 110426852
2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid
CID 1216754
1-phenoxy-N-propylmethanesulfonamide
CID 67759583
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide
CID 110606791

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline?
The IUPAC name of 4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline (CID 59962132) is 4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline.
What is the SMILES notation for 4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline?
The canonical SMILES for 4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline is CCCNS(=O)(=O)Nc1ccc(Oc2cccc3ccccc23)cc1.
What is the InChIKey of 4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline?
The InChIKey is KZWPSXIWWOHTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-2-14-20-25(22,23)21-16-10-12-17(13-11-16)24-19-9-5-7-15-6-3-4-8-18(15)19/h3-13,20-21H,2,14H2,1H3.
What are the key properties of 4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline?
4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline has a molecular weight of 356.45 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline is sourced from PubChem (CID 59962132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).