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

C20H23N3O6S — CID 11683470

IUPAC1-cyclohexyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea
SMILESCc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H23N3O6S/c1-14-7-10-17(11-8-14)29-18-12-9-16(23(25)26)13-19(18)30(27,28)22-20(24)21-15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H2,21,22,24)
InChIKeyIDPWSIWQGCMVFU-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.02
Rot. Bonds6

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

1-cyclohexyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea (PubChem CID 11683470) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea
PubChem CID11683470
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name1-cyclohexyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea
SMILESCc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H23N3O6S/c1-14-7-10-17(11-8-14)29-18-12-9-16(23(25)26)13-19(18)30(27,28)22-20(24)21-15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H2,21,22,24)
InChIKeyIDPWSIWQGCMVFU-UHFFFAOYSA-N
XLogP4.02
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.02
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-(4-methylphenoxy)-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

N-n-pentyl-N''-[2-(4-methylphenoxy)-5-nitrobenzenesulfonyl]urea
CID 11502680
N-n-butyl-N''-[2-(4-methylphenoxy)-5-nitrobenzenesulfonyl]urea
CID 11531590
N-n-hexyl-N''-[2-(4-methylphenoxy)-5-nitrobenzenesulfonyl]urea
CID 11704760
1-(5-Nitro-2-(m-tolyloxy)phenylsulfonyl)-3-pentylurea
CID 11633163
N-tert-butyl-N''-[2-(2-methylphenoxy)-5-nitrobenzenesulfonyl]-urea
CID 16756977
N-tert-butyl-N''-[2-(3-iodophenoxy)-5-nitrobenzenesulfonyl]-urea
CID 16757082
N-isopropyl-N''-[2-(3-methylphenoxy)-5-nitrobenzenesulfonyl]-urea
CID 16757376
N-tert-butyl-N''-[2-(3-methylphenoxy)-5-nitrobenzenesulfonyl]-urea
CID 16757377
N-n-pentyl-N''-[2-(3-iodophenoxy)-5-nitrobenzenesulfonyl]-urea
CID 16757485
N-tert-butyl-N''-[2-(4-methylphenoxy)-5-nitrobenzenesulfonyl]urea
CID 11567679
1-(5-Nitro-2-(o-tolyloxy)phenylsulfonyl)-3-pentylurea
CID 11676145
N-tert-butyl-N''-[2-(2-methoxy-4-methylphenoxy)-5-nitrobenzenesulfonyl]urea
CID 16755885

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea?
The IUPAC name of 1-cyclohexyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea (CID 11683470) is 1-cyclohexyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea?
The canonical SMILES for 1-cyclohexyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea is Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea?
The InChIKey is IDPWSIWQGCMVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-14-7-10-17(11-8-14)29-18-12-9-16(23(25)26)13-19(18)30(27,28)22-20(24)21-15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H2,21,22,24).
What are the key properties of 1-cyclohexyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea?
1-cyclohexyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea has a molecular weight of 433.49 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea is sourced from PubChem (CID 11683470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).