[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-3-hydroxycyclopent-2-en-1-one;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyoxolan-2-yl]-4H-triazole;4-[2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4H-triazol-5-yl)furan-3-yl]oxyethyl]morpholine

C85H82Cl4N12O20S4 — CID 159598072

IUPAC[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-3-hydroxycyclopent-2-en-1-one;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyoxolan-2-yl]-4H-triazole;4-[2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4H-triazol-5-yl)furan-3-yl]oxyethyl]morpholine
SMILESCOC1CC(c2c(Cl)ccn2S(=O)(=O)c2ccc(C)cc2)OC1C1=NN=NC1.COc1cc(-c2c(Cl)ccn2S(=O)(=O)c2ccc(C)cc2)oc1C(=O)c1[nH]c(C)cc1C.COc1cc(-c2c(Cl)ccn2S(=O)(=O)c2ccc(C)cc2)oc1C1=C(O)CCC1=O.Cc1ccc(S(=O)(=O)n2ccc(Cl)c2-c2cc(OCCN3CCOCC3)c(C3=NN=NC3)o2)cc1
InChIInChI=1S/C23H24ClN5O5S.C23H21ClN2O5S.C21H18ClNO6S.C18H19ClN4O4S/c1-16-2-4-17(5-3-16)35(30,31)29-7-6-18(24)22(29)20-14-21(23(34-20)19-15-25-27-26-19)33-13-10-28-8-11-32-12-9-28;1-13-5-7-16(8-6-13)32(28,29)26-10-9-17(24)21(26)18-12-19(30-4)23(31-18)22(27)20-14(2)11-15(3)25-20;1-12-3-5-13(6-4-12)30(26,27)23-10-9-14(22)20(23)17-11-18(28-2)21(29-17)19-15(24)7-8-16(19)25;1-11-3-5-12(6-4-11)28(24,25)23-8-7-13(19)17(23)15-9-16(26-2)18(27-15)14-10-20-22-21-14/h2-7,14H,8-13,15H2,1H3;5-12,25H,1-4H3;3-6,9-11,24H,7-8H2,1-2H3;3-8,15-16,18H,9-10H2,1-2H3
InChIKeyMLCMFICLKGTDJM-UHFFFAOYSA-N
MW1861.73 g/mol
LogP16.90
Rot. Bonds24

About [5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-3-hydroxycyclopent-2-en-1-one;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyoxolan-2-yl]-4H-triazole;4-[2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4H-triazol-5-yl)furan-3-yl]oxyethyl]morpholine

[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-3-hydroxycyclopent-2-en-1-one;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyoxolan-2-yl]-4H-triazole;4-[2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4H-triazol-5-yl)furan-3-yl]oxyethyl]morpholine (PubChem CID 159598072) has the molecular formula C85H82Cl4N12O20S4 and a molecular weight of 1861.73 g/mol. Its IUPAC name is [5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-3-hydroxycyclopent-2-en-1-one;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyoxolan-2-yl]-4H-triazole;4-[2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4H-triazol-5-yl)furan-3-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-3-hydroxycyclopent-2-en-1-one;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyoxolan-2-yl]-4H-triazole;4-[2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4H-triazol-5-yl)furan-3-yl]oxyethyl]morpholine
PubChem CID159598072
Molecular FormulaC85H82Cl4N12O20S4
Molecular Weight1861.73 g/mol
Exact Mass1858.34
IUPAC Name[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-3-hydroxycyclopent-2-en-1-one;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyoxolan-2-yl]-4H-triazole;4-[2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4H-triazol-5-yl)furan-3-yl]oxyethyl]morpholine
SMILESCOC1CC(c2c(Cl)ccn2S(=O)(=O)c2ccc(C)cc2)OC1C1=NN=NC1.COc1cc(-c2c(Cl)ccn2S(=O)(=O)c2ccc(C)cc2)oc1C(=O)c1[nH]c(C)cc1C.COc1cc(-c2c(Cl)ccn2S(=O)(=O)c2ccc(C)cc2)oc1C1=C(O)CCC1=O.Cc1ccc(S(=O)(=O)n2ccc(Cl)c2-c2cc(OCCN3CCOCC3)c(C3=NN=NC3)o2)cc1
InChIInChI=1S/C23H24ClN5O5S.C23H21ClN2O5S.C21H18ClNO6S.C18H19ClN4O4S/c1-16-2-4-17(5-3-16)35(30,31)29-7-6-18(24)22(29)20-14-21(23(34-20)19-15-25-27-26-19)33-13-10-28-8-11-32-12-9-28;1-13-5-7-16(8-6-13)32(28,29)26-10-9-17(24)21(26)18-12-19(30-4)23(31-18)22(27)20-14(2)11-15(3)25-20;1-12-3-5-13(6-4-12)30(26,27)23-10-9-14(22)20(23)17-11-18(28-2)21(29-17)19-15(24)7-8-16(19)25;1-11-3-5-12(6-4-11)28(24,25)23-8-7-13(19)17(23)15-9-16(26-2)18(27-15)14-10-20-22-21-14/h2-7,14H,8-13,15H2,1H3;5-12,25H,1-4H3;3-6,9-11,24H,7-8H2,1-2H3;3-8,15-16,18H,9-10H2,1-2H3
InChIKeyMLCMFICLKGTDJM-UHFFFAOYSA-N
XLogP16.90
TPSA398.64 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001861.73
LogP ≤ 516.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Analyze [5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-3-hydroxycyclopent-2-en-1-one;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyoxolan-2-yl]-4H-triazole;4-[2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4H-triazol-5-yl)furan-3-yl]oxyethyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-3-hydroxycyclopent-2-en-1-one;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyoxolan-2-yl]-4H-triazole;4-[2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4H-triazol-5-yl)furan-3-yl]oxyethyl]morpholine?
The IUPAC name of [5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-3-hydroxycyclopent-2-en-1-one;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyoxolan-2-yl]-4H-triazole;4-[2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4H-triazol-5-yl)furan-3-yl]oxyethyl]morpholine (CID 159598072) is [5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-3-hydroxycyclopent-2-en-1-one;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyoxolan-2-yl]-4H-triazole;4-[2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4H-triazol-5-yl)furan-3-yl]oxyethyl]morpholine.
What is the SMILES notation for [5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-3-hydroxycyclopent-2-en-1-one;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyoxolan-2-yl]-4H-triazole;4-[2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4H-triazol-5-yl)furan-3-yl]oxyethyl]morpholine?
The canonical SMILES for [5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-3-hydroxycyclopent-2-en-1-one;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyoxolan-2-yl]-4H-triazole;4-[2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4H-triazol-5-yl)furan-3-yl]oxyethyl]morpholine is COC1CC(c2c(Cl)ccn2S(=O)(=O)c2ccc(C)cc2)OC1C1=NN=NC1.COc1cc(-c2c(Cl)ccn2S(=O)(=O)c2ccc(C)cc2)oc1C(=O)c1[nH]c(C)cc1C.COc1cc(-c2c(Cl)ccn2S(=O)(=O)c2ccc(C)cc2)oc1C1=C(O)CCC1=O.Cc1ccc(S(=O)(=O)n2ccc(Cl)c2-c2cc(OCCN3CCOCC3)c(C3=NN=NC3)o2)cc1.
What is the InChIKey of [5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-3-hydroxycyclopent-2-en-1-one;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyoxolan-2-yl]-4H-triazole;4-[2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4H-triazol-5-yl)furan-3-yl]oxyethyl]morpholine?
The InChIKey is MLCMFICLKGTDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O5S.C23H21ClN2O5S.C21H18ClNO6S.C18H19ClN4O4S/c1-16-2-4-17(5-3-16)35(30,31)29-7-6-18(24)22(29)20-14-21(23(34-20)19-15-25-27-26-19)33-13-10-28-8-11-32-12-9-28;1-13-5-7-16(8-6-13)32(28,29)26-10-9-17(24)21(26)18-12-19(30-4)23(31-18)22(27)20-14(2)11-15(3)25-20;1-12-3-5-13(6-4-12)30(26,27)23-10-9-14(22)20(23)17-11-18(28-2)21(29-17)19-15(24)7-8-16(19)25;1-11-3-5-12(6-4-11)28(24,25)23-8-7-13(19)17(23)15-9-16(26-2)18(27-15)14-10-20-22-21-14/h2-7,14H,8-13,15H2,1H3;5-12,25H,1-4H3;3-6,9-11,24H,7-8H2,1-2H3;3-8,15-16,18H,9-10H2,1-2H3.
What are the key properties of [5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-3-hydroxycyclopent-2-en-1-one;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyoxolan-2-yl]-4H-triazole;4-[2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4H-triazol-5-yl)furan-3-yl]oxyethyl]morpholine?
[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-3-hydroxycyclopent-2-en-1-one;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyoxolan-2-yl]-4H-triazole;4-[2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4H-triazol-5-yl)furan-3-yl]oxyethyl]morpholine has a molecular weight of 1861.73 g/mol, XLogP of 16.90, 24 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone;2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-3-hydroxycyclopent-2-en-1-one;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyoxolan-2-yl]-4H-triazole;4-[2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4H-triazol-5-yl)furan-3-yl]oxyethyl]morpholine is sourced from PubChem (CID 159598072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).