N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxochromene-6-sulfonamide

C19H17ClN2O5S — CID 30782532

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-2-oxochromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)Nc3cccc(Cl)c3N3CCOCC3)ccc2o1
InChIInChI=1S/C19H17ClN2O5S/c20-15-2-1-3-16(19(15)22-8-10-26-11-9-22)21-28(24,25)14-5-6-17-13(12-14)4-7-18(23)27-17/h1-7,12,21H,8-11H2
InChIKeyMTWUDHYSVNKJAR-UHFFFAOYSA-N
MW420.87 g/mol
LogP3.08
Rot. Bonds4

About N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxochromene-6-sulfonamide

N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxochromene-6-sulfonamide (PubChem CID 30782532) has the molecular formula C19H17ClN2O5S and a molecular weight of 420.87 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-oxochromene-6-sulfonamide
PubChem CID30782532
Molecular FormulaC19H17ClN2O5S
Molecular Weight420.87 g/mol
Exact Mass420.05
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-oxochromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)Nc3cccc(Cl)c3N3CCOCC3)ccc2o1
InChIInChI=1S/C19H17ClN2O5S/c20-15-2-1-3-16(19(15)22-8-10-26-11-9-22)21-28(24,25)14-5-6-17-13(12-14)4-7-18(23)27-17/h1-7,12,21H,8-11H2
InChIKeyMTWUDHYSVNKJAR-UHFFFAOYSA-N
XLogP3.08
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxochromene-6-sulfonamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxochromene-6-sulfonamide (CID 30782532) is N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxochromene-6-sulfonamide is O=c1ccc2cc(S(=O)(=O)Nc3cccc(Cl)c3N3CCOCC3)ccc2o1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxochromene-6-sulfonamide?
The InChIKey is MTWUDHYSVNKJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5S/c20-15-2-1-3-16(19(15)22-8-10-26-11-9-22)21-28(24,25)14-5-6-17-13(12-14)4-7-18(23)27-17/h1-7,12,21H,8-11H2.
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxochromene-6-sulfonamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxochromene-6-sulfonamide has a molecular weight of 420.87 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 30782532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).