N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide

C20H17ClN2O6S — CID 4249919

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H17ClN2O6S/c21-16-6-5-14(12-18(16)30(26,27)23-7-9-28-10-8-23)22-19(24)15-11-13-3-1-2-4-17(13)29-20(15)25/h1-6,11-12H,7-10H2,(H,22,24)
InChIKeyIPQBJNVBXOJJDD-UHFFFAOYSA-N
MW448.88 g/mol
LogP2.72
Rot. Bonds4

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 4249919) has the molecular formula C20H17ClN2O6S and a molecular weight of 448.88 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
PubChem CID4249919
Molecular FormulaC20H17ClN2O6S
Molecular Weight448.88 g/mol
Exact Mass448.05
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H17ClN2O6S/c21-16-6-5-14(12-18(16)30(26,27)23-7-9-28-10-8-23)22-19(24)15-11-13-3-1-2-4-17(13)29-20(15)25/h1-6,11-12H,7-10H2,(H,22,24)
InChIKeyIPQBJNVBXOJJDD-UHFFFAOYSA-N
XLogP2.72
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.88
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide (CID 4249919) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is IPQBJNVBXOJJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O6S/c21-16-6-5-14(12-18(16)30(26,27)23-7-9-28-10-8-23)22-19(24)15-11-13-3-1-2-4-17(13)29-20(15)25/h1-6,11-12H,7-10H2,(H,22,24).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 448.88 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 4249919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).