1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea

C15H20N2O4S — CID 1989

IUPAC1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea
SMILESCC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)
InChIKeyVGZSUPCWNCWDAN-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.21
Rot. Bonds4

About 1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea

1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea (PubChem CID 1989) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea.

Molecular Properties

Compound Name1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea
PubChem CID1989
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea
SMILESCC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)
InChIKeyVGZSUPCWNCWDAN-UHFFFAOYSA-N
XLogP2.21
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea?
The IUPAC name of 1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea (CID 1989) is 1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea.
What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea?
The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea is CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea?
The InChIKey is VGZSUPCWNCWDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19).
What are the key properties of 1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea?
1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea has a molecular weight of 324.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea is sourced from PubChem (CID 1989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).