1-cyclohexyl-3-[2-[3-(4-methylphenyl)phenoxy]-5-nitrophenyl]sulfonylurea

C26H27N3O6S — CID 71815933

IUPAC1-cyclohexyl-3-[2-[3-(4-methylphenyl)phenoxy]-5-nitrophenyl]sulfonylurea
SMILESCc1ccc(-c2cccc(Oc3ccc([N+](=O)[O-])cc3S(=O)(=O)NC(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C26H27N3O6S/c1-18-10-12-19(13-11-18)20-6-5-9-23(16-20)35-24-15-14-22(29(31)32)17-25(24)36(33,34)28-26(30)27-21-7-3-2-4-8-21/h5-6,9-17,21H,2-4,7-8H2,1H3,(H2,27,28,30)
InChIKeyUHSUQMDQTOXYHR-UHFFFAOYSA-N
MW509.58 g/mol
LogP5.68
Rot. Bonds7

About 1-cyclohexyl-3-[2-[3-(4-methylphenyl)phenoxy]-5-nitrophenyl]sulfonylurea

1-cyclohexyl-3-[2-[3-(4-methylphenyl)phenoxy]-5-nitrophenyl]sulfonylurea (PubChem CID 71815933) has the molecular formula C26H27N3O6S and a molecular weight of 509.58 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-[3-(4-methylphenyl)phenoxy]-5-nitrophenyl]sulfonylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-[3-(4-methylphenyl)phenoxy]-5-nitrophenyl]sulfonylurea
PubChem CID71815933
Molecular FormulaC26H27N3O6S
Molecular Weight509.58 g/mol
Exact Mass509.16
IUPAC Name1-cyclohexyl-3-[2-[3-(4-methylphenyl)phenoxy]-5-nitrophenyl]sulfonylurea
SMILESCc1ccc(-c2cccc(Oc3ccc([N+](=O)[O-])cc3S(=O)(=O)NC(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C26H27N3O6S/c1-18-10-12-19(13-11-18)20-6-5-9-23(16-20)35-24-15-14-22(29(31)32)17-25(24)36(33,34)28-26(30)27-21-7-3-2-4-8-21/h5-6,9-17,21H,2-4,7-8H2,1H3,(H2,27,28,30)
InChIKeyUHSUQMDQTOXYHR-UHFFFAOYSA-N
XLogP5.68
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.58
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-3-[2-[3-(4-methylphenyl)phenoxy]-5-nitrophenyl]sulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[2-(tert-butylcarbamoylsulfamoyl)-4-nitrophenoxy]phenyl]benzoic acid
CID 71815929
1-tert-butyl-3-[2-[2-(4-methoxyphenyl)phenoxy]-5-nitrophenyl]sulfonylurea;1-tert-butyl-3-[2-[3-(4-methoxyphenyl)phenoxy]-5-nitrophenyl]sulfonylurea
CID 158698872
1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea
CID 163582481
1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
CID 2370277
1-cyclopentyl-4-[2-(3,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine
CID 59260936
methyl 6-[3-[2-(tert-butylcarbamoylsulfamoyl)-4-nitrophenoxy]phenyl]hex-5-ynoate
CID 71815931
1-[5-cyano-2-(3-methylphenoxy)phenyl]sulfonyl-3-propan-2-ylurea
CID 71740180
1-[2-[3-[4-[amino(hydroxy)methyl]phenyl]phenoxy]-5-cyanophenyl]sulfonyl-3-(1-methylcyclopropyl)urea
CID 162435787
1-cycloheptyl-3-(3,4-dimethylphenyl)sulfonylurea
CID 154210091
1-[2-(2-iodophenoxy)-5-nitrophenyl]sulfonyl-3-pentylurea
CID 71815862
1-[2-(3,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-N,N-dimethylpiperidin-4-amine
CID 59260755
1-cyclohexyl-3-naphthalen-2-ylsulfonylurea
CID 163441997

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-[3-(4-methylphenyl)phenoxy]-5-nitrophenyl]sulfonylurea?
The IUPAC name of 1-cyclohexyl-3-[2-[3-(4-methylphenyl)phenoxy]-5-nitrophenyl]sulfonylurea (CID 71815933) is 1-cyclohexyl-3-[2-[3-(4-methylphenyl)phenoxy]-5-nitrophenyl]sulfonylurea.
What is the SMILES notation for 1-cyclohexyl-3-[2-[3-(4-methylphenyl)phenoxy]-5-nitrophenyl]sulfonylurea?
The canonical SMILES for 1-cyclohexyl-3-[2-[3-(4-methylphenyl)phenoxy]-5-nitrophenyl]sulfonylurea is Cc1ccc(-c2cccc(Oc3ccc([N+](=O)[O-])cc3S(=O)(=O)NC(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[2-[3-(4-methylphenyl)phenoxy]-5-nitrophenyl]sulfonylurea?
The InChIKey is UHSUQMDQTOXYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O6S/c1-18-10-12-19(13-11-18)20-6-5-9-23(16-20)35-24-15-14-22(29(31)32)17-25(24)36(33,34)28-26(30)27-21-7-3-2-4-8-21/h5-6,9-17,21H,2-4,7-8H2,1H3,(H2,27,28,30).
What are the key properties of 1-cyclohexyl-3-[2-[3-(4-methylphenyl)phenoxy]-5-nitrophenyl]sulfonylurea?
1-cyclohexyl-3-[2-[3-(4-methylphenyl)phenoxy]-5-nitrophenyl]sulfonylurea has a molecular weight of 509.58 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-[3-(4-methylphenyl)phenoxy]-5-nitrophenyl]sulfonylurea is sourced from PubChem (CID 71815933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).