1-cyclohexyl-3-[4-(propan-2-ylsulfamoyl)phenyl]urea

C16H25N3O3S — CID 1243243

IUPAC1-cyclohexyl-3-[4-(propan-2-ylsulfamoyl)phenyl]urea
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-12(2)19-23(21,22)15-10-8-14(9-11-15)18-16(20)17-13-6-4-3-5-7-13/h8-13,19H,3-7H2,1-2H3,(H2,17,18,20)
InChIKeyAYNKXYIBBKUWCC-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.83
Rot. Bonds5

About 1-cyclohexyl-3-[4-(propan-2-ylsulfamoyl)phenyl]urea

1-cyclohexyl-3-[4-(propan-2-ylsulfamoyl)phenyl]urea (PubChem CID 1243243) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(propan-2-ylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(propan-2-ylsulfamoyl)phenyl]urea
PubChem CID1243243
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-cyclohexyl-3-[4-(propan-2-ylsulfamoyl)phenyl]urea
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-12(2)19-23(21,22)15-10-8-14(9-11-15)18-16(20)17-13-6-4-3-5-7-13/h8-13,19H,3-7H2,1-2H3,(H2,17,18,20)
InChIKeyAYNKXYIBBKUWCC-UHFFFAOYSA-N
XLogP2.83
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Carbutamide
CID 9564
Slc-0111
CID 310360
3-(3-Phenyl-ureido)-benzenesulfonamide
CID 2812287
4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
4-Amino-N-[(2-sulfanylethyl)carbamoyl]benzenesulfonamide
CID 24856357
Benzenesulfonamide, N-[2-[[(phenylamino)carbonyl]amino]phenyl]-
CID 10044483
4-amino-N-ethyl-N-phenylbenzenesulfonamide
CID 833589
Acetamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-
CID 97278
1-Phenyl-3-(2-(4-sulfamoylphenyl)ethyl)urea
CID 4229592
Benzenesulfonamide, 4-[[[(phenylamino)carbonyl]amino]methyl]-
CID 10614528
4-{[(Pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
CID 11245996
4-[(Cyclopentylcarbamoyl)amino]benzenesulfonamide
CID 27870443

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(propan-2-ylsulfamoyl)phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(propan-2-ylsulfamoyl)phenyl]urea (CID 1243243) is 1-cyclohexyl-3-[4-(propan-2-ylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(propan-2-ylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(propan-2-ylsulfamoyl)phenyl]urea is CC(C)NS(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[4-(propan-2-ylsulfamoyl)phenyl]urea?
The InChIKey is AYNKXYIBBKUWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12(2)19-23(21,22)15-10-8-14(9-11-15)18-16(20)17-13-6-4-3-5-7-13/h8-13,19H,3-7H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-cyclohexyl-3-[4-(propan-2-ylsulfamoyl)phenyl]urea?
1-cyclohexyl-3-[4-(propan-2-ylsulfamoyl)phenyl]urea has a molecular weight of 339.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(propan-2-ylsulfamoyl)phenyl]urea is sourced from PubChem (CID 1243243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).