5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxy-N-pyridin-2-ylsulfonylfuran-2-carboxamide

C22H18ClN3O7S2 — CID 123550757

IUPAC5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxy-N-pyridin-2-ylsulfonylfuran-2-carboxamide
SMILESCOc1cc(-c2c(Cl)ccn2S(=O)(=O)c2ccc(C)cc2)oc1C(=O)NS(=O)(=O)c1ccccn1
InChIInChI=1S/C22H18ClN3O7S2/c1-14-6-8-15(9-7-14)35(30,31)26-12-10-16(23)20(26)17-13-18(32-2)21(33-17)22(27)25-34(28,29)19-5-3-4-11-24-19/h3-13H,1-2H3,(H,25,27)
InChIKeyUPJHXPKURXPOCI-UHFFFAOYSA-N
MW535.99 g/mol
LogP3.47
Rot. Bonds7

About 5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxy-N-pyridin-2-ylsulfonylfuran-2-carboxamide

5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxy-N-pyridin-2-ylsulfonylfuran-2-carboxamide (PubChem CID 123550757) has the molecular formula C22H18ClN3O7S2 and a molecular weight of 535.99 g/mol. Its IUPAC name is 5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxy-N-pyridin-2-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxy-N-pyridin-2-ylsulfonylfuran-2-carboxamide
PubChem CID123550757
Molecular FormulaC22H18ClN3O7S2
Molecular Weight535.99 g/mol
Exact Mass535.03
IUPAC Name5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxy-N-pyridin-2-ylsulfonylfuran-2-carboxamide
SMILESCOc1cc(-c2c(Cl)ccn2S(=O)(=O)c2ccc(C)cc2)oc1C(=O)NS(=O)(=O)c1ccccn1
InChIInChI=1S/C22H18ClN3O7S2/c1-14-6-8-15(9-7-14)35(30,31)26-12-10-16(23)20(26)17-13-18(32-2)21(33-17)22(27)25-34(28,29)19-5-3-4-11-24-19/h3-13H,1-2H3,(H,25,27)
InChIKeyUPJHXPKURXPOCI-UHFFFAOYSA-N
XLogP3.47
TPSA137.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.99
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-(butylamino)propylsulfonyl]-5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-carboxamide
CID 123148502
1-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2-methylsulfonylethanone
CID 159371123
1-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2,4-dimethylpentan-1-one
CID 126653048
2-[(2-aminophenyl)methylsulfonyl]-1-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]ethanone
CID 158348841
2-[[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(2H-tetrazol-5-yl)furan-3-yl]oxymethyl]pyridine
CID 126668503
5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2H-tetrazole
CID 122373537
3-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-4H-1,2-oxazol-5-one
CID 159371122
N'-amino-5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-(2-morpholin-4-ylethoxy)furan-2-carboximidamide
CID 123370386
N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 71260417
2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110532647
2-[(2-amino-3-pyridinyl)methylsulfonyl]-1-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]ethanone;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-3-hydroxycyclopent-2-en-1-one;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2-oxoacetic acid;1-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2-(pyridin-3-ylmethylsulfonyl)ethanone;2-[[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4H-triazol-5-yl)furan-3-yl]oxymethyl]pyridine
CID 159653223
1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone
CID 126653033

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxy-N-pyridin-2-ylsulfonylfuran-2-carboxamide?
The IUPAC name of 5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxy-N-pyridin-2-ylsulfonylfuran-2-carboxamide (CID 123550757) is 5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxy-N-pyridin-2-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxy-N-pyridin-2-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for 5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxy-N-pyridin-2-ylsulfonylfuran-2-carboxamide is COc1cc(-c2c(Cl)ccn2S(=O)(=O)c2ccc(C)cc2)oc1C(=O)NS(=O)(=O)c1ccccn1.
What is the InChIKey of 5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxy-N-pyridin-2-ylsulfonylfuran-2-carboxamide?
The InChIKey is UPJHXPKURXPOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O7S2/c1-14-6-8-15(9-7-14)35(30,31)26-12-10-16(23)20(26)17-13-18(32-2)21(33-17)22(27)25-34(28,29)19-5-3-4-11-24-19/h3-13H,1-2H3,(H,25,27).
What are the key properties of 5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxy-N-pyridin-2-ylsulfonylfuran-2-carboxamide?
5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxy-N-pyridin-2-ylsulfonylfuran-2-carboxamide has a molecular weight of 535.99 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxy-N-pyridin-2-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 123550757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).