3-[(4-chlorophenyl)carbamoyl]-1-cyclohexyl-1-methylsulfonylurea

C15H20ClN3O4S — CID 2328312

IUPAC3-[(4-chlorophenyl)carbamoyl]-1-cyclohexyl-1-methylsulfonylurea
SMILESCS(=O)(=O)N(C(=O)NC(=O)Nc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C15H20ClN3O4S/c1-24(22,23)19(13-5-3-2-4-6-13)15(21)18-14(20)17-12-9-7-11(16)8-10-12/h7-10,13H,2-6H2,1H3,(H2,17,18,20,21)
InChIKeyRWLWPGQQWDONAL-UHFFFAOYSA-N
MW373.86 g/mol
LogP3.18
Rot. Bonds3

About 3-[(4-chlorophenyl)carbamoyl]-1-cyclohexyl-1-methylsulfonylurea

3-[(4-chlorophenyl)carbamoyl]-1-cyclohexyl-1-methylsulfonylurea (PubChem CID 2328312) has the molecular formula C15H20ClN3O4S and a molecular weight of 373.86 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)carbamoyl]-1-cyclohexyl-1-methylsulfonylurea.

Molecular Properties

Compound Name3-[(4-chlorophenyl)carbamoyl]-1-cyclohexyl-1-methylsulfonylurea
PubChem CID2328312
Molecular FormulaC15H20ClN3O4S
Molecular Weight373.86 g/mol
Exact Mass373.09
IUPAC Name3-[(4-chlorophenyl)carbamoyl]-1-cyclohexyl-1-methylsulfonylurea
SMILESCS(=O)(=O)N(C(=O)NC(=O)Nc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C15H20ClN3O4S/c1-24(22,23)19(13-5-3-2-4-6-13)15(21)18-14(20)17-12-9-7-11(16)8-10-12/h7-10,13H,2-6H2,1H3,(H2,17,18,20,21)
InChIKeyRWLWPGQQWDONAL-UHFFFAOYSA-N
XLogP3.18
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)carbamoyl]-1-cyclohexyl-1-methylsulfonylurea?
The IUPAC name of 3-[(4-chlorophenyl)carbamoyl]-1-cyclohexyl-1-methylsulfonylurea (CID 2328312) is 3-[(4-chlorophenyl)carbamoyl]-1-cyclohexyl-1-methylsulfonylurea.
What is the SMILES notation for 3-[(4-chlorophenyl)carbamoyl]-1-cyclohexyl-1-methylsulfonylurea?
The canonical SMILES for 3-[(4-chlorophenyl)carbamoyl]-1-cyclohexyl-1-methylsulfonylurea is CS(=O)(=O)N(C(=O)NC(=O)Nc1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of 3-[(4-chlorophenyl)carbamoyl]-1-cyclohexyl-1-methylsulfonylurea?
The InChIKey is RWLWPGQQWDONAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O4S/c1-24(22,23)19(13-5-3-2-4-6-13)15(21)18-14(20)17-12-9-7-11(16)8-10-12/h7-10,13H,2-6H2,1H3,(H2,17,18,20,21).
What are the key properties of 3-[(4-chlorophenyl)carbamoyl]-1-cyclohexyl-1-methylsulfonylurea?
3-[(4-chlorophenyl)carbamoyl]-1-cyclohexyl-1-methylsulfonylurea has a molecular weight of 373.86 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)carbamoyl]-1-cyclohexyl-1-methylsulfonylurea is sourced from PubChem (CID 2328312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).