4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide

C25H24N2O5S — CID 20998884

IUPAC4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide
SMILESCOc1ccc(-c2c/c(=N\c3ccc(S(N)(=O)=O)cc3)c3c(C)cc(C)cc3o2)cc1OC
InChIInChI=1S/C25H24N2O5S/c1-15-11-16(2)25-20(27-18-6-8-19(9-7-18)33(26,28)29)14-22(32-24(25)12-15)17-5-10-21(30-3)23(13-17)31-4/h5-14H,1-4H3,(H2,26,28,29)/b27-20+
InChIKeyFFIVEUPZWVUWKL-NHFJDJAPSA-N
MW464.54 g/mol
LogP4.61
Rot. Bonds5

About 4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide

4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide (PubChem CID 20998884) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is 4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide
PubChem CID20998884
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC Name4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide
SMILESCOc1ccc(-c2c/c(=N\c3ccc(S(N)(=O)=O)cc3)c3c(C)cc(C)cc3o2)cc1OC
InChIInChI=1S/C25H24N2O5S/c1-15-11-16(2)25-20(27-18-6-8-19(9-7-18)33(26,28)29)14-22(32-24(25)12-15)17-5-10-21(30-3)23(13-17)31-4/h5-14H,1-4H3,(H2,26,28,29)/b27-20+
InChIKeyFFIVEUPZWVUWKL-NHFJDJAPSA-N
XLogP4.61
TPSA104.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine
CID 7729859
2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine
CID 7729878
(NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine
CID 6871166
(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine
CID 20998887
4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 20998885
(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)chromen-4-imine
CID 20998891
methyl 2-[(E)-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 20998888
2-[2-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]ethoxy]ethanol
CID 7729855
2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine
CID 20998852
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid
CID 18593861
N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide
CID 6405555
N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]amino]benzenesulfonamide
CID 6405705

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide?
The IUPAC name of 4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide (CID 20998884) is 4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide?
The canonical SMILES for 4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide is COc1ccc(-c2c/c(=N\c3ccc(S(N)(=O)=O)cc3)c3c(C)cc(C)cc3o2)cc1OC.
What is the InChIKey of 4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide?
The InChIKey is FFIVEUPZWVUWKL-NHFJDJAPSA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-15-11-16(2)25-20(27-18-6-8-19(9-7-18)33(26,28)29)14-22(32-24(25)12-15)17-5-10-21(30-3)23(13-17)31-4/h5-14H,1-4H3,(H2,26,28,29)/b27-20+.
What are the key properties of 4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide?
4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide has a molecular weight of 464.54 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide is sourced from PubChem (CID 20998884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).