N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-4-ethylbenzenesulfonamide

C23H26N2O4S — CID 24793708

IUPACN-[4-(cyclohexylamino)-2-oxochromen-3-yl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)cc1
InChIInChI=1S/C23H26N2O4S/c1-2-16-12-14-18(15-13-16)30(27,28)25-22-21(24-17-8-4-3-5-9-17)19-10-6-7-11-20(19)29-23(22)26/h6-7,10-15,17,24-25H,2-5,8-9H2,1H3
InChIKeyKASLQPZHDYINCI-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.90
Rot. Bonds6

About N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-4-ethylbenzenesulfonamide

N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-4-ethylbenzenesulfonamide (PubChem CID 24793708) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(cyclohexylamino)-2-oxochromen-3-yl]-4-ethylbenzenesulfonamide
PubChem CID24793708
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC NameN-[4-(cyclohexylamino)-2-oxochromen-3-yl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)cc1
InChIInChI=1S/C23H26N2O4S/c1-2-16-12-14-18(15-13-16)30(27,28)25-22-21(24-17-8-4-3-5-9-17)19-10-6-7-11-20(19)29-23(22)26/h6-7,10-15,17,24-25H,2-5,8-9H2,1H3
InChIKeyKASLQPZHDYINCI-UHFFFAOYSA-N
XLogP4.90
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide
CID 2970501
2-oxo-N-[(4-sulfamoylphenyl)methyl]-2H-chromene-3-carboxamide
CID 4572067
N-[4-(Cyclohexylamino)-2-oxo-2H-chromen-3-YL]-2,5-dimethoxybenzene-1-sulfonamide
CID 20959260
Coumarin, 3-amino-4-cyclohexylamino-
CID 50494
4-Cyclohexyl-N-[4-(ethylamino)-2-oxo-2H-chromen-3-YL]benzene-1-sulfonamide
CID 6625159
4-Cyclohexyl-N-[4-(methylamino)-2-oxo-2H-chromen-3-YL]benzene-1-sulfonamide
CID 8083541
3-Chloro-N-[4-(ethylamino)-2-oxo-2H-chromen-3-YL]-4-methoxybenzene-1-sulfonamide
CID 8083617
3,4-Dimethyl-N-[2-oxo-4-(propylamino)-2H-chromen-3-YL]benzene-1-sulfonamide
CID 8112670
N-[4-(Ethylamino)-2-oxo-2H-chromen-3-YL]-4-nitrobenzene-1-sulfonamide
CID 20108704
4-Cyclohexyl-N-[2-oxo-4-(propylamino)-2H-chromen-3-YL]benzene-1-sulfonamide
CID 20108738
N-(4-{[2-Oxo-4-(propylamino)-2H-chromen-3-YL]sulfamoyl}phenyl)propanamide
CID 20950144
N-[4-(Cyclohexylamino)-2-oxo-2H-chromen-3-YL]-4-fluoro-3-methylbenzene-1-sulfonamide
CID 20959259

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-4-ethylbenzenesulfonamide (CID 24793708) is N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)cc1.
What is the InChIKey of N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-4-ethylbenzenesulfonamide?
The InChIKey is KASLQPZHDYINCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-2-16-12-14-18(15-13-16)30(27,28)25-22-21(24-17-8-4-3-5-9-17)19-10-6-7-11-20(19)29-23(22)26/h6-7,10-15,17,24-25H,2-5,8-9H2,1H3.
What are the key properties of N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-4-ethylbenzenesulfonamide?
N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-4-ethylbenzenesulfonamide has a molecular weight of 426.54 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 24793708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).