1-cyclohexyl-3-(4-methylphenyl)sulfonylurea

C14H20N2O3S — CID 12628

IUPAC1-cyclohexyl-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C14H20N2O3S/c1-11-7-9-13(10-8-11)20(18,19)16-14(17)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,15,16,17)
InChIKeyRIGBPMDIGYBTBJ-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.32
Rot. Bonds3

About 1-cyclohexyl-3-(4-methylphenyl)sulfonylurea

1-cyclohexyl-3-(4-methylphenyl)sulfonylurea (PubChem CID 12628) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-methylphenyl)sulfonylurea
PubChem CID12628
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-cyclohexyl-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C14H20N2O3S/c1-11-7-9-13(10-8-11)20(18,19)16-14(17)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,15,16,17)
InChIKeyRIGBPMDIGYBTBJ-UHFFFAOYSA-N
XLogP2.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tolbutamide
CID 5505
Acetohexamide
CID 1989
N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
4-(2-((Cyclohexylcarbamoyl)amino)ethyl)benzenesulfonamide
CID 841429
Glyhexamide
CID 9953
Tolbutamide Sodium
CID 23690448
Tolpentamide
CID 3083671
N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
Phenbutamide
CID 18466
Glyoctamide
CID 13953
N~1~-cyclopropyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 894343

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-cyclohexyl-3-(4-methylphenyl)sulfonylurea (CID 12628) is 1-cyclohexyl-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-cyclohexyl-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-cyclohexyl-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-(4-methylphenyl)sulfonylurea?
The InChIKey is RIGBPMDIGYBTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-7-9-13(10-8-11)20(18,19)16-14(17)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,15,16,17).
What are the key properties of 1-cyclohexyl-3-(4-methylphenyl)sulfonylurea?
1-cyclohexyl-3-(4-methylphenyl)sulfonylurea has a molecular weight of 296.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 12628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).