N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C23H16N2O7S — CID 108781093

IUPACN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCOc1ccc2oc(-c3ccc(NS(=O)(=O)c4ccc5[nH]c(=O)oc5c4)cc3)cc(=O)c2c1
InChIInChI=1S/C23H16N2O7S/c1-30-15-6-9-20-17(10-15)19(26)12-21(31-20)13-2-4-14(5-3-13)25-33(28,29)16-7-8-18-22(11-16)32-23(27)24-18/h2-12,25H,1H3,(H,24,27)
InChIKeyINHBAOKWPSNPMD-UHFFFAOYSA-N
MW464.46 g/mol
LogP3.70
Rot. Bonds5

About N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 108781093) has the molecular formula C23H16N2O7S and a molecular weight of 464.46 g/mol. Its IUPAC name is N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID108781093
Molecular FormulaC23H16N2O7S
Molecular Weight464.46 g/mol
Exact Mass464.07
IUPAC NameN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCOc1ccc2oc(-c3ccc(NS(=O)(=O)c4ccc5[nH]c(=O)oc5c4)cc3)cc(=O)c2c1
InChIInChI=1S/C23H16N2O7S/c1-30-15-6-9-20-17(10-15)19(26)12-21(31-20)13-2-4-14(5-3-13)25-33(28,29)16-7-8-18-22(11-16)32-23(27)24-18/h2-12,25H,1H3,(H,24,27)
InChIKeyINHBAOKWPSNPMD-UHFFFAOYSA-N
XLogP3.70
TPSA131.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide with MolForge

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Related Compounds

N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110402478
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110350533
2-(4-tert-butylphenyl)-6-methoxychromen-4-one
CID 776400
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one
CID 108773151
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 92648158
N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
CID 134055659
2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108754281
2-(3,5-dimethylphenyl)-6-methoxychromen-4-one
CID 166633270
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 39919060

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 108781093) is N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is COc1ccc2oc(-c3ccc(NS(=O)(=O)c4ccc5[nH]c(=O)oc5c4)cc3)cc(=O)c2c1.
What is the InChIKey of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is INHBAOKWPSNPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O7S/c1-30-15-6-9-20-17(10-15)19(26)12-21(31-20)13-2-4-14(5-3-13)25-33(28,29)16-7-8-18-22(11-16)32-23(27)24-18/h2-12,25H,1H3,(H,24,27).
What are the key properties of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 464.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 108781093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).