N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-8-(methanesulfonamido)-4-methoxydibenzofuran-1-carboxamide

C20H15Cl2N3O6S — CID 58867862

IUPACN-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-8-(methanesulfonamido)-4-methoxydibenzofuran-1-carboxamide
SMILESCOc1ccc(C(=O)N=c2c(Cl)cn(O)cc2Cl)c2c1oc1ccc(NS(C)(=O)=O)cc12
InChIInChI=1S/C20H15Cl2N3O6S/c1-30-16-6-4-11(20(26)23-18-13(21)8-25(27)9-14(18)22)17-12-7-10(24-32(2,28)29)3-5-15(12)31-19(16)17/h3-9,24,27H,1-2H3
InChIKeyMSJGRKQGQQNJOT-UHFFFAOYSA-N
MW496.33 g/mol
LogP4.05
Rot. Bonds4

About N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-8-(methanesulfonamido)-4-methoxydibenzofuran-1-carboxamide

N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-8-(methanesulfonamido)-4-methoxydibenzofuran-1-carboxamide (PubChem CID 58867862) has the molecular formula C20H15Cl2N3O6S and a molecular weight of 496.33 g/mol. Its IUPAC name is N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-8-(methanesulfonamido)-4-methoxydibenzofuran-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-8-(methanesulfonamido)-4-methoxydibenzofuran-1-carboxamide
PubChem CID58867862
Molecular FormulaC20H15Cl2N3O6S
Molecular Weight496.33 g/mol
Exact Mass495.01
IUPAC NameN-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-8-(methanesulfonamido)-4-methoxydibenzofuran-1-carboxamide
SMILESCOc1ccc(C(=O)N=c2c(Cl)cn(O)cc2Cl)c2c1oc1ccc(NS(C)(=O)=O)cc12
InChIInChI=1S/C20H15Cl2N3O6S/c1-30-16-6-4-11(20(26)23-18-13(21)8-25(27)9-14(18)22)17-12-7-10(24-32(2,28)29)3-5-15(12)31-19(16)17/h3-9,24,27H,1-2H3
InChIKeyMSJGRKQGQQNJOT-UHFFFAOYSA-N
XLogP4.05
TPSA123.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.33
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide
CID 11202725
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide
CID 91364495
sodium 2-[[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxydibenzofuran-2-yl]amino]-2-oxoacetate
CID 23686730
N-cyclopentyl-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-oxazole-4-carboxamide
CID 58496308
8-(cyclopropanecarbonylamino)-N-(3,5-dichloro-4-pyridinyl)-4-methoxydibenzofuran-1-carboxamide
CID 11202218
N-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide
CID 58496311
N-(3-acetyl-4-methoxyphenyl)methanesulfonamide
CID 18615187
ethyl N-[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxydibenzofuran-2-yl]methanimidate
CID 58867875
N-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide
CID 1091853
sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide
CID 11364118
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-(methanesulfonamido)-N-methylbenzamide
CID 43910210

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-8-(methanesulfonamido)-4-methoxydibenzofuran-1-carboxamide?
The IUPAC name of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-8-(methanesulfonamido)-4-methoxydibenzofuran-1-carboxamide (CID 58867862) is N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-8-(methanesulfonamido)-4-methoxydibenzofuran-1-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-8-(methanesulfonamido)-4-methoxydibenzofuran-1-carboxamide?
The canonical SMILES for N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-8-(methanesulfonamido)-4-methoxydibenzofuran-1-carboxamide is COc1ccc(C(=O)N=c2c(Cl)cn(O)cc2Cl)c2c1oc1ccc(NS(C)(=O)=O)cc12.
What is the InChIKey of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-8-(methanesulfonamido)-4-methoxydibenzofuran-1-carboxamide?
The InChIKey is MSJGRKQGQQNJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O6S/c1-30-16-6-4-11(20(26)23-18-13(21)8-25(27)9-14(18)22)17-12-7-10(24-32(2,28)29)3-5-15(12)31-19(16)17/h3-9,24,27H,1-2H3.
What are the key properties of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-8-(methanesulfonamido)-4-methoxydibenzofuran-1-carboxamide?
N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-8-(methanesulfonamido)-4-methoxydibenzofuran-1-carboxamide has a molecular weight of 496.33 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-8-(methanesulfonamido)-4-methoxydibenzofuran-1-carboxamide is sourced from PubChem (CID 58867862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).