N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]amino]benzenesulfonamide

C28H23ClN4O6S — CID 6405705

IUPACN-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]amino]benzenesulfonamide
SMILESCOc1ccc2oc(-c3ccc(OC)c(OC)c3)c/c(=N\c3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)c2c1
InChIInChI=1S/C28H23ClN4O6S/c1-36-19-7-11-23-21(15-19)22(16-25(39-23)17-4-10-24(37-2)26(14-17)38-3)30-18-5-8-20(9-6-18)40(34,35)33-28-13-12-27(29)31-32-28/h4-16H,1-3H3,(H,32,33)/b30-22+
InChIKeyPSBTZOJKZFVLFO-JBASAIQMSA-N
MW579.03 g/mol
LogP5.60
Rot. Bonds8

About N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]amino]benzenesulfonamide

N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]amino]benzenesulfonamide (PubChem CID 6405705) has the molecular formula C28H23ClN4O6S and a molecular weight of 579.03 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]amino]benzenesulfonamide
PubChem CID6405705
Molecular FormulaC28H23ClN4O6S
Molecular Weight579.03 g/mol
Exact Mass578.10
IUPAC NameN-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]amino]benzenesulfonamide
SMILESCOc1ccc2oc(-c3ccc(OC)c(OC)c3)c/c(=N\c3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)c2c1
InChIInChI=1S/C28H23ClN4O6S/c1-36-19-7-11-23-21(15-19)22(16-25(39-23)17-4-10-24(37-2)26(14-17)38-3)30-18-5-8-20(9-6-18)40(34,35)33-28-13-12-27(29)31-32-28/h4-16H,1-3H3,(H,32,33)/b30-22+
InChIKeyPSBTZOJKZFVLFO-JBASAIQMSA-N
XLogP5.60
TPSA125.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.03
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide
CID 6405555
4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 6405557
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid
CID 18593861
4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide
CID 20998884
(NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine
CID 7730706
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate
CID 20998974
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451127
2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine
CID 7729878
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951
3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 113235700
4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048349
2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine
CID 7729859

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]amino]benzenesulfonamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]amino]benzenesulfonamide (CID 6405705) is N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]amino]benzenesulfonamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]amino]benzenesulfonamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]amino]benzenesulfonamide is COc1ccc2oc(-c3ccc(OC)c(OC)c3)c/c(=N\c3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)c2c1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]amino]benzenesulfonamide?
The InChIKey is PSBTZOJKZFVLFO-JBASAIQMSA-N. The full InChI is InChI=1S/C28H23ClN4O6S/c1-36-19-7-11-23-21(15-19)22(16-25(39-23)17-4-10-24(37-2)26(14-17)38-3)30-18-5-8-20(9-6-18)40(34,35)33-28-13-12-27(29)31-32-28/h4-16H,1-3H3,(H,32,33)/b30-22+.
What are the key properties of N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]amino]benzenesulfonamide?
N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]amino]benzenesulfonamide has a molecular weight of 579.03 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]amino]benzenesulfonamide is sourced from PubChem (CID 6405705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).