4-cyclohexyl-N-[4-(ethylamino)-2-oxochromen-3-yl]benzenesulfonamide

C23H26N2O4S — CID 6625159

IUPAC4-cyclohexyl-N-[4-(ethylamino)-2-oxochromen-3-yl]benzenesulfonamide
SMILESCCNc1c(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c(=O)oc2ccccc12
InChIInChI=1S/C23H26N2O4S/c1-2-24-21-19-10-6-7-11-20(19)29-23(26)22(21)25-30(27,28)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h6-7,10-16,24-25H,2-5,8-9H2,1H3
InChIKeyHOZAXACJMHIHBJ-UHFFFAOYSA-N
MW426.54 g/mol
LogP5.07
Rot. Bonds6

About 4-cyclohexyl-N-[4-(ethylamino)-2-oxochromen-3-yl]benzenesulfonamide

4-cyclohexyl-N-[4-(ethylamino)-2-oxochromen-3-yl]benzenesulfonamide (PubChem CID 6625159) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-cyclohexyl-N-[4-(ethylamino)-2-oxochromen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[4-(ethylamino)-2-oxochromen-3-yl]benzenesulfonamide
PubChem CID6625159
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name4-cyclohexyl-N-[4-(ethylamino)-2-oxochromen-3-yl]benzenesulfonamide
SMILESCCNc1c(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c(=O)oc2ccccc12
InChIInChI=1S/C23H26N2O4S/c1-2-24-21-19-10-6-7-11-20(19)29-23(26)22(21)25-30(27,28)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h6-7,10-16,24-25H,2-5,8-9H2,1H3
InChIKeyHOZAXACJMHIHBJ-UHFFFAOYSA-N
XLogP5.07
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[4-(ethylamino)-2-oxochromen-3-yl]benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-[4-(ethylamino)-2-oxochromen-3-yl]benzenesulfonamide (CID 6625159) is 4-cyclohexyl-N-[4-(ethylamino)-2-oxochromen-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-[4-(ethylamino)-2-oxochromen-3-yl]benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-[4-(ethylamino)-2-oxochromen-3-yl]benzenesulfonamide is CCNc1c(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c(=O)oc2ccccc12.
What is the InChIKey of 4-cyclohexyl-N-[4-(ethylamino)-2-oxochromen-3-yl]benzenesulfonamide?
The InChIKey is HOZAXACJMHIHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-2-24-21-19-10-6-7-11-20(19)29-23(26)22(21)25-30(27,28)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h6-7,10-16,24-25H,2-5,8-9H2,1H3.
What are the key properties of 4-cyclohexyl-N-[4-(ethylamino)-2-oxochromen-3-yl]benzenesulfonamide?
4-cyclohexyl-N-[4-(ethylamino)-2-oxochromen-3-yl]benzenesulfonamide has a molecular weight of 426.54 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[4-(ethylamino)-2-oxochromen-3-yl]benzenesulfonamide is sourced from PubChem (CID 6625159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).