1-butyl-3-naphthalen-1-ylsulfonylurea

C15H18N2O3S — CID 125482961

IUPAC1-butyl-3-naphthalen-1-ylsulfonylurea
SMILESCCCCNC(=O)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H18N2O3S/c1-2-3-11-16-15(18)17-21(19,20)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,2-3,11H2,1H3,(H2,16,17,18)
InChIKeyYBYHZYSLSDOXGN-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.63
Rot. Bonds5

About 1-butyl-3-naphthalen-1-ylsulfonylurea

1-butyl-3-naphthalen-1-ylsulfonylurea (PubChem CID 125482961) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-butyl-3-naphthalen-1-ylsulfonylurea.

Molecular Properties

Compound Name1-butyl-3-naphthalen-1-ylsulfonylurea
PubChem CID125482961
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-butyl-3-naphthalen-1-ylsulfonylurea
SMILESCCCCNC(=O)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H18N2O3S/c1-2-3-11-16-15(18)17-21(19,20)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,2-3,11H2,1H3,(H2,16,17,18)
InChIKeyYBYHZYSLSDOXGN-UHFFFAOYSA-N
XLogP2.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[2-(dimethylsulfamoyl)phenyl]sulfonylurea
CID 19966722
1-(benzenesulfonyl)-3-pentylurea
CID 70503180
1-(2-iodophenyl)sulfonyl-3-propylurea
CID 18987809
1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea
CID 116645811
1-butyl-3-(2-methylsulfonylthiophen-3-yl)sulfonylurea
CID 13322004
1-[2-methyl-5-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]-3-naphthalen-1-ylsulfonylurea
CID 19607163
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea
CID 23176149
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea
CID 116645823
[3-(butylcarbamoylsulfamoyl)phenyl]phosphonic acid
CID 67821982
2-(naphthalen-1-ylsulfonylamino)octanoic acid
CID 102208300

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-naphthalen-1-ylsulfonylurea?
The IUPAC name of 1-butyl-3-naphthalen-1-ylsulfonylurea (CID 125482961) is 1-butyl-3-naphthalen-1-ylsulfonylurea.
What is the SMILES notation for 1-butyl-3-naphthalen-1-ylsulfonylurea?
The canonical SMILES for 1-butyl-3-naphthalen-1-ylsulfonylurea is CCCCNC(=O)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 1-butyl-3-naphthalen-1-ylsulfonylurea?
The InChIKey is YBYHZYSLSDOXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-3-11-16-15(18)17-21(19,20)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,2-3,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-butyl-3-naphthalen-1-ylsulfonylurea?
1-butyl-3-naphthalen-1-ylsulfonylurea has a molecular weight of 306.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-naphthalen-1-ylsulfonylurea is sourced from PubChem (CID 125482961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).