4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide

C19H18N2O6S — CID 176514673

IUPAC4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(\C)c2cc3ccc(OC)cc3oc2=O)cc1
InChIInChI=1S/C19H18N2O6S/c1-12(20-21-28(23,24)16-8-6-14(25-2)7-9-16)17-10-13-4-5-15(26-3)11-18(13)27-19(17)22/h4-11,21H,1-3H3/b20-12+
InChIKeySCUYHJFUJSJRBD-UDWIEESQSA-N
MW402.43 g/mol
LogP2.51
Rot. Bonds6

About 4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide

4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide (PubChem CID 176514673) has the molecular formula C19H18N2O6S and a molecular weight of 402.43 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide
PubChem CID176514673
Molecular FormulaC19H18N2O6S
Molecular Weight402.43 g/mol
Exact Mass402.09
IUPAC Name4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(\C)c2cc3ccc(OC)cc3oc2=O)cc1
InChIInChI=1S/C19H18N2O6S/c1-12(20-21-28(23,24)16-8-6-14(25-2)7-9-16)17-10-13-4-5-15(26-3)11-18(13)27-19(17)22/h4-11,21H,1-3H3/b20-12+
InChIKeySCUYHJFUJSJRBD-UDWIEESQSA-N
XLogP2.51
TPSA107.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-3-prop-1-en-2-ylchromen-2-one
CID 24787160
7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one
CID 7245877
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073564
4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide
CID 3925592
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide
CID 33430522
2-[(7-methoxy-2-oxochromene-3-carbonyl)amino]propanedioic acid
CID 20823648
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
3-(7-methoxy-2-oxochromene-3-carbonyl)benzenesulfonyl fluoride
CID 21217318
ethyl 3-(7-methoxy-2-oxochromen-3-yl)-3-oxopropanoate
CID 91733252
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 1034649
2-hydroxyethyl 7-methoxy-2-oxochromene-3-carboxylate
CID 11651849
7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide
CID 5262581

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide (CID 176514673) is 4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C(\C)c2cc3ccc(OC)cc3oc2=O)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide?
The InChIKey is SCUYHJFUJSJRBD-UDWIEESQSA-N. The full InChI is InChI=1S/C19H18N2O6S/c1-12(20-21-28(23,24)16-8-6-14(25-2)7-9-16)17-10-13-4-5-15(26-3)11-18(13)27-19(17)22/h4-11,21H,1-3H3/b20-12+.
What are the key properties of 4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide?
4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide has a molecular weight of 402.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 176514673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).