3-[(4-chlorophenyl)sulfonylcarbamoyl]-1-cyclohexyl-1-(4-methylphenyl)sulfonylurea

C21H24ClN3O6S2 — CID 3255121

IUPAC3-[(4-chlorophenyl)sulfonylcarbamoyl]-1-cyclohexyl-1-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)N(C(=O)NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)C2CCCCC2)cc1
InChIInChI=1S/C21H24ClN3O6S2/c1-15-7-11-19(12-8-15)33(30,31)25(17-5-3-2-4-6-17)21(27)23-20(26)24-32(28,29)18-13-9-16(22)10-14-18/h7-14,17H,2-6H2,1H3,(H2,23,24,26,27)
InChIKeyZBGYLTCLISXGEY-UHFFFAOYSA-N
MW514.03 g/mol
LogP3.78
Rot. Bonds5

About 3-[(4-chlorophenyl)sulfonylcarbamoyl]-1-cyclohexyl-1-(4-methylphenyl)sulfonylurea

3-[(4-chlorophenyl)sulfonylcarbamoyl]-1-cyclohexyl-1-(4-methylphenyl)sulfonylurea (PubChem CID 3255121) has the molecular formula C21H24ClN3O6S2 and a molecular weight of 514.03 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylcarbamoyl]-1-cyclohexyl-1-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylcarbamoyl]-1-cyclohexyl-1-(4-methylphenyl)sulfonylurea
PubChem CID3255121
Molecular FormulaC21H24ClN3O6S2
Molecular Weight514.03 g/mol
Exact Mass513.08
IUPAC Name3-[(4-chlorophenyl)sulfonylcarbamoyl]-1-cyclohexyl-1-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)N(C(=O)NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)C2CCCCC2)cc1
InChIInChI=1S/C21H24ClN3O6S2/c1-15-7-11-19(12-8-15)33(30,31)25(17-5-3-2-4-6-17)21(27)23-20(26)24-32(28,29)18-13-9-16(22)10-14-18/h7-14,17H,2-6H2,1H3,(H2,23,24,26,27)
InChIKeyZBGYLTCLISXGEY-UHFFFAOYSA-N
XLogP3.78
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.03
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1,1,3-tris-(4-methylphenyl)sulfonylurea
CID 91086807
1-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-3-(4-methylphenyl)sulfonylurea
CID 916360
1-(1-cyclohexylprop-2-ynyl)-1,3-bis-(4-methylphenyl)sulfonylurea
CID 10648709
1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
CID 2370277
1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea
CID 23800118
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea
CID 40596016
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea
CID 40596528
1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea
CID 110402562
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954
2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447
N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113056759

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylcarbamoyl]-1-cyclohexyl-1-(4-methylphenyl)sulfonylurea?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylcarbamoyl]-1-cyclohexyl-1-(4-methylphenyl)sulfonylurea (CID 3255121) is 3-[(4-chlorophenyl)sulfonylcarbamoyl]-1-cyclohexyl-1-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylcarbamoyl]-1-cyclohexyl-1-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylcarbamoyl]-1-cyclohexyl-1-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)N(C(=O)NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)C2CCCCC2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylcarbamoyl]-1-cyclohexyl-1-(4-methylphenyl)sulfonylurea?
The InChIKey is ZBGYLTCLISXGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O6S2/c1-15-7-11-19(12-8-15)33(30,31)25(17-5-3-2-4-6-17)21(27)23-20(26)24-32(28,29)18-13-9-16(22)10-14-18/h7-14,17H,2-6H2,1H3,(H2,23,24,26,27).
What are the key properties of 3-[(4-chlorophenyl)sulfonylcarbamoyl]-1-cyclohexyl-1-(4-methylphenyl)sulfonylurea?
3-[(4-chlorophenyl)sulfonylcarbamoyl]-1-cyclohexyl-1-(4-methylphenyl)sulfonylurea has a molecular weight of 514.03 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylcarbamoyl]-1-cyclohexyl-1-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 3255121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).