1-cyclohexyl-3-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]sulfonylurea

C23H31N5O3S — CID 78060683

IUPAC1-cyclohexyl-3-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]sulfonylurea
SMILESCCN(CC)c1ccc(/N=N/c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H31N5O3S/c1-3-28(4-2)21-14-10-19(11-15-21)25-26-20-12-16-22(17-13-20)32(30,31)27-23(29)24-18-8-6-5-7-9-18/h10-18H,3-9H2,1-2H3,(H2,24,27,29)/b26-25+
InChIKeyFCHDFDWESRUUDK-OCEACIFDSA-N
MW457.60 g/mol
LogP5.27
Rot. Bonds8

About 1-cyclohexyl-3-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]sulfonylurea

1-cyclohexyl-3-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]sulfonylurea (PubChem CID 78060683) has the molecular formula C23H31N5O3S and a molecular weight of 457.60 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]sulfonylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]sulfonylurea
PubChem CID78060683
Molecular FormulaC23H31N5O3S
Molecular Weight457.60 g/mol
Exact Mass457.21
IUPAC Name1-cyclohexyl-3-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]sulfonylurea
SMILESCCN(CC)c1ccc(/N=N/c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H31N5O3S/c1-3-28(4-2)21-14-10-19(11-15-21)25-26-20-12-16-22(17-13-20)32(30,31)27-23(29)24-18-8-6-5-7-9-18/h10-18H,3-9H2,1-2H3,(H2,24,27,29)/b26-25+
InChIKeyFCHDFDWESRUUDK-OCEACIFDSA-N
XLogP5.27
TPSA103.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.60
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173
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N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate
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1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
CID 2370277
1-cycloheptyl-3-(3,4-dimethylphenyl)sulfonylurea
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CID 10666666
1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea
CID 163582481
1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea
CID 163523295
1-cyclohexyl-3-naphthalen-2-ylsulfonylurea
CID 163441997
N-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfonylacetamide
CID 1284363
1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea
CID 113049683
3-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-1-methyl-1-pyridin-2-ylurea
CID 21433328

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]sulfonylurea?
The IUPAC name of 1-cyclohexyl-3-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]sulfonylurea (CID 78060683) is 1-cyclohexyl-3-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]sulfonylurea.
What is the SMILES notation for 1-cyclohexyl-3-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]sulfonylurea?
The canonical SMILES for 1-cyclohexyl-3-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]sulfonylurea is CCN(CC)c1ccc(/N=N/c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]sulfonylurea?
The InChIKey is FCHDFDWESRUUDK-OCEACIFDSA-N. The full InChI is InChI=1S/C23H31N5O3S/c1-3-28(4-2)21-14-10-19(11-15-21)25-26-20-12-16-22(17-13-20)32(30,31)27-23(29)24-18-8-6-5-7-9-18/h10-18H,3-9H2,1-2H3,(H2,24,27,29)/b26-25+.
What are the key properties of 1-cyclohexyl-3-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]sulfonylurea?
1-cyclohexyl-3-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]sulfonylurea has a molecular weight of 457.60 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]sulfonylurea is sourced from PubChem (CID 78060683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).