1-butyl-1-(4-methylphenyl)sulfonylurea

C12H18N2O3S — CID 54549158

IUPAC1-butyl-1-(4-methylphenyl)sulfonylurea
SMILESCCCCN(C(N)=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H18N2O3S/c1-3-4-9-14(12(13)15)18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,15)
InChIKeyZIRLDYOJRFPDFO-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.86
Rot. Bonds5

About 1-butyl-1-(4-methylphenyl)sulfonylurea

1-butyl-1-(4-methylphenyl)sulfonylurea (PubChem CID 54549158) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-butyl-1-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-butyl-1-(4-methylphenyl)sulfonylurea
PubChem CID54549158
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name1-butyl-1-(4-methylphenyl)sulfonylurea
SMILESCCCCN(C(N)=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H18N2O3S/c1-3-4-9-14(12(13)15)18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,15)
InChIKeyZIRLDYOJRFPDFO-UHFFFAOYSA-N
XLogP1.86
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[butyl(carbamoyl)sulfamoyl]benzoic acid
CID 21123755
ethyl 2-[butyl-(4-methylphenyl)sulfonylamino]acetate
CID 131719040
N-butyl-N-(2-chloroethyl)-4-methylbenzenesulfonamide
CID 63396720
N-butyl-N-(4-methylphenyl)sulfonylacridine-9-carboxamide
CID 22908451
N-butyl-N-cyano-4-methylbenzenesulfonamide
CID 135043115
N-(4-methylphenyl)sulfonylhexanehydrazide
CID 139038475
N-(4-methylphenyl)sulfonylhexanehydrazide
CID 102300698
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951
ethyl N-(3-methylbutyl)-N-(4-methylphenyl)sulfonylcarbamate
CID 163464803
N-(4-bromophenyl)sulfonyl-N-pentylacetamide
CID 146458811
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
4-methylbenzenesulfonic acid;octadecanamide
CID 174323507

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-butyl-1-(4-methylphenyl)sulfonylurea (CID 54549158) is 1-butyl-1-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-butyl-1-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-butyl-1-(4-methylphenyl)sulfonylurea is CCCCN(C(N)=O)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-butyl-1-(4-methylphenyl)sulfonylurea?
The InChIKey is ZIRLDYOJRFPDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-4-9-14(12(13)15)18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,15).
What are the key properties of 1-butyl-1-(4-methylphenyl)sulfonylurea?
1-butyl-1-(4-methylphenyl)sulfonylurea has a molecular weight of 270.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 54549158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).