N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide

C24H27N3O6S — CID 1165204

IUPACN-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(C3CCCCC3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1
InChIInChI=1S/C24H27N3O6S/c1-2-33-21-10-13-23-17(15-21)14-18(24(28)25-23)16-26(19-6-4-3-5-7-19)34(31,32)22-11-8-20(9-12-22)27(29)30/h8-15,19H,2-7,16H2,1H3,(H,25,28)
InChIKeyWKUJCUSAXGGIDK-UHFFFAOYSA-N
MW485.56 g/mol
LogP4.36
Rot. Bonds8

About N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide

N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide (PubChem CID 1165204) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide
PubChem CID1165204
Molecular FormulaC24H27N3O6S
Molecular Weight485.56 g/mol
Exact Mass485.16
IUPAC NameN-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(C3CCCCC3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1
InChIInChI=1S/C24H27N3O6S/c1-2-33-21-10-13-23-17(15-21)14-18(24(28)25-23)16-26(19-6-4-3-5-7-19)34(31,32)22-11-8-20(9-12-22)27(29)30/h8-15,19H,2-7,16H2,1H3,(H,25,28)
InChIKeyWKUJCUSAXGGIDK-UHFFFAOYSA-N
XLogP4.36
TPSA122.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.36
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-chloro-N-cyclohexyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1169194
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1165237
N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide
CID 1459156
4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 3366760
N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide
CID 3319709
N-cyclopentyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3194180
N-cyclopentyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1165451
1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430907
4-bromo-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 1165278
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430901
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea
CID 1137416
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]-2-nitrobenzenesulfonamide
CID 1165257

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide (CID 1165204) is N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide is CCOc1ccc2[nH]c(=O)c(CN(C3CCCCC3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1.
What is the InChIKey of N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide?
The InChIKey is WKUJCUSAXGGIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6S/c1-2-33-21-10-13-23-17(15-21)14-18(24(28)25-23)16-26(19-6-4-3-5-7-19)34(31,32)22-11-8-20(9-12-22)27(29)30/h8-15,19H,2-7,16H2,1H3,(H,25,28).
What are the key properties of N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide?
N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide has a molecular weight of 485.56 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 1165204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).