1-(4-chlorophenyl)sulfonyl-3-(3-methylsulfanylpropyl)urea

C11H15ClN2O3S2 — CID 165345290

IUPAC1-(4-chlorophenyl)sulfonyl-3-(3-methylsulfanylpropyl)urea
SMILESCSCCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O3S2/c1-18-8-2-7-13-11(15)14-19(16,17)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H2,13,14,15)
InChIKeyAEOJSAJEFASQDH-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.08
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-3-(3-methylsulfanylpropyl)urea

1-(4-chlorophenyl)sulfonyl-3-(3-methylsulfanylpropyl)urea (PubChem CID 165345290) has the molecular formula C11H15ClN2O3S2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-(3-methylsulfanylpropyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-(3-methylsulfanylpropyl)urea
PubChem CID165345290
Molecular FormulaC11H15ClN2O3S2
Molecular Weight322.84 g/mol
Exact Mass322.02
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-(3-methylsulfanylpropyl)urea
SMILESCSCCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O3S2/c1-18-8-2-7-13-11(15)14-19(16,17)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H2,13,14,15)
InChIKeyAEOJSAJEFASQDH-UHFFFAOYSA-N
XLogP2.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)sulfonyl-3-hexylurea
CID 119056344
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
1-(4-methylphenyl)sulfonyl-3-[3-(4-methylphenyl)sulfonylpropyl]urea
CID 157413928
1-(4-aminophenyl)sulfonyl-3-pentylurea
CID 40714265
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
1-(benzenesulfonyl)-3-pentylurea
CID 70503180
5-chloro-2-(3-methylsulfanylpropylcarbamoylamino)benzoic acid
CID 63957725
2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 5055809
1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea
CID 44586473
2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 18474632

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(3-methylsulfanylpropyl)urea?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(3-methylsulfanylpropyl)urea (CID 165345290) is 1-(4-chlorophenyl)sulfonyl-3-(3-methylsulfanylpropyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-(3-methylsulfanylpropyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-(3-methylsulfanylpropyl)urea is CSCCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-(3-methylsulfanylpropyl)urea?
The InChIKey is AEOJSAJEFASQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S2/c1-18-8-2-7-13-11(15)14-19(16,17)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H2,13,14,15).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-(3-methylsulfanylpropyl)urea?
1-(4-chlorophenyl)sulfonyl-3-(3-methylsulfanylpropyl)urea has a molecular weight of 322.84 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-(3-methylsulfanylpropyl)urea is sourced from PubChem (CID 165345290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).