2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1-hydroxy-6-methylindol-1-ium-3-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methylchromen-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-cinnolin-4-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-5-methylinden-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one

C112H84Cl5N4O22S10+ — CID 158530610

IUPAC2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1-hydroxy-6-methylindol-1-ium-3-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methylchromen-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-cinnolin-4-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-5-methylinden-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one
SMILESCc1ccc2c(=O)c(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)coc2c1.Cc1ccc2c(=O)c(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)n[nH]c2c1.Cc1ccc2c(c1)C=C(c1ccc(CC(=O)CS(=O)(=O)c3ccc(Cl)s3)cc1)C2=O.Cc1ccc2c(c1)N=C(c1ccc(CC(=O)CS(=O)(=O)c3ccc(Cl)s3)cc1)C2=O.Cc1ccc2c(c1)[N+](O)=C(c1ccc(CC(=O)CS(=O)(=O)c3ccc(Cl)s3)cc1)C2=O
InChIInChI=1S/C23H17ClO5S2.C23H17ClO4S2.C22H17ClN2O4S2.C22H17ClNO5S2.C22H16ClNO4S2/c1-14-2-7-18-20(10-14)29-12-19(23(18)26)16-5-3-15(4-6-16)11-17(25)13-31(27,28)22-9-8-21(24)30-22;1-14-2-7-19-17(10-14)12-20(23(19)26)16-5-3-15(4-6-16)11-18(25)13-30(27,28)22-9-8-21(24)29-22;1-13-2-7-17-18(10-13)24-25-21(22(17)27)15-5-3-14(4-6-15)11-16(26)12-31(28,29)20-9-8-19(23)30-20;1-13-2-7-17-18(10-13)24(27)21(22(17)26)15-5-3-14(4-6-15)11-16(25)12-31(28,29)20-9-8-19(23)30-20;1-13-2-7-17-18(10-13)24-21(22(17)26)15-5-3-14(4-6-15)11-16(25)12-30(27,28)20-9-8-19(23)29-20/h2-10,12H,11,13H2,1H3;2-10,12H,11,13H2,1H3;2-10H,11-12H2,1H3,(H,24,27);2-10,27H,11-12H2,1H3;2-10H,11-12H2,1H3/q;;;+1;
InChIKeyDJWSELOKCAHUMD-UHFFFAOYSA-N
MW2335.84 g/mol
LogP22.93
Rot. Bonds30

About 2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1-hydroxy-6-methylindol-1-ium-3-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methylchromen-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-cinnolin-4-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-5-methylinden-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one

2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1-hydroxy-6-methylindol-1-ium-3-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methylchromen-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-cinnolin-4-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-5-methylinden-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one (PubChem CID 158530610) has the molecular formula C112H84Cl5N4O22S10+ and a molecular weight of 2335.84 g/mol. Its IUPAC name is 2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1-hydroxy-6-methylindol-1-ium-3-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methylchromen-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-cinnolin-4-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-5-methylinden-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one.

Molecular Properties

Compound Name2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1-hydroxy-6-methylindol-1-ium-3-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methylchromen-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-cinnolin-4-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-5-methylinden-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one
PubChem CID158530610
Molecular FormulaC112H84Cl5N4O22S10+
Molecular Weight2335.84 g/mol
Exact Mass2331.12
IUPAC Name2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1-hydroxy-6-methylindol-1-ium-3-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methylchromen-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-cinnolin-4-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-5-methylinden-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one
SMILESCc1ccc2c(=O)c(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)coc2c1.Cc1ccc2c(=O)c(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)n[nH]c2c1.Cc1ccc2c(c1)C=C(c1ccc(CC(=O)CS(=O)(=O)c3ccc(Cl)s3)cc1)C2=O.Cc1ccc2c(c1)N=C(c1ccc(CC(=O)CS(=O)(=O)c3ccc(Cl)s3)cc1)C2=O.Cc1ccc2c(c1)[N+](O)=C(c1ccc(CC(=O)CS(=O)(=O)c3ccc(Cl)s3)cc1)C2=O
InChIInChI=1S/C23H17ClO5S2.C23H17ClO4S2.C22H17ClN2O4S2.C22H17ClNO5S2.C22H16ClNO4S2/c1-14-2-7-18-20(10-14)29-12-19(23(18)26)16-5-3-15(4-6-16)11-17(25)13-31(27,28)22-9-8-21(24)30-22;1-14-2-7-19-17(10-14)12-20(23(19)26)16-5-3-15(4-6-16)11-18(25)13-30(27,28)22-9-8-21(24)29-22;1-13-2-7-17-18(10-13)24-25-21(22(17)27)15-5-3-14(4-6-15)11-16(26)12-31(28,29)20-9-8-19(23)30-20;1-13-2-7-17-18(10-13)24(27)21(22(17)26)15-5-3-14(4-6-15)11-16(25)12-31(28,29)20-9-8-19(23)30-20;1-13-2-7-17-18(10-13)24-21(22(17)26)15-5-3-14(4-6-15)11-16(25)12-30(27,28)20-9-8-19(23)29-20/h2-10,12H,11,13H2,1H3;2-10,12H,11,13H2,1H3;2-10H,11-12H2,1H3,(H,24,27);2-10,27H,11-12H2,1H3;2-10H,11-12H2,1H3/q;;;+1;
InChIKeyDJWSELOKCAHUMD-UHFFFAOYSA-N
XLogP22.93
TPSA418.82 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds30
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002335.84
LogP ≤ 522.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1-hydroxy-6-methylindol-1-ium-3-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methylchromen-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-cinnolin-4-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-5-methylinden-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1-hydroxy-6-methylindol-1-ium-3-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methylchromen-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-cinnolin-4-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-5-methylinden-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one?
The IUPAC name of 2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1-hydroxy-6-methylindol-1-ium-3-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methylchromen-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-cinnolin-4-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-5-methylinden-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one (CID 158530610) is 2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1-hydroxy-6-methylindol-1-ium-3-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methylchromen-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-cinnolin-4-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-5-methylinden-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one.
What is the SMILES notation for 2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1-hydroxy-6-methylindol-1-ium-3-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methylchromen-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-cinnolin-4-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-5-methylinden-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one?
The canonical SMILES for 2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1-hydroxy-6-methylindol-1-ium-3-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methylchromen-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-cinnolin-4-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-5-methylinden-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one is Cc1ccc2c(=O)c(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)coc2c1.Cc1ccc2c(=O)c(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)n[nH]c2c1.Cc1ccc2c(c1)C=C(c1ccc(CC(=O)CS(=O)(=O)c3ccc(Cl)s3)cc1)C2=O.Cc1ccc2c(c1)N=C(c1ccc(CC(=O)CS(=O)(=O)c3ccc(Cl)s3)cc1)C2=O.Cc1ccc2c(c1)[N+](O)=C(c1ccc(CC(=O)CS(=O)(=O)c3ccc(Cl)s3)cc1)C2=O.
What is the InChIKey of 2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1-hydroxy-6-methylindol-1-ium-3-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methylchromen-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-cinnolin-4-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-5-methylinden-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one?
The InChIKey is DJWSELOKCAHUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClO5S2.C23H17ClO4S2.C22H17ClN2O4S2.C22H17ClNO5S2.C22H16ClNO4S2/c1-14-2-7-18-20(10-14)29-12-19(23(18)26)16-5-3-15(4-6-16)11-17(25)13-31(27,28)22-9-8-21(24)30-22;1-14-2-7-19-17(10-14)12-20(23(19)26)16-5-3-15(4-6-16)11-18(25)13-30(27,28)22-9-8-21(24)29-22;1-13-2-7-17-18(10-13)24-25-21(22(17)27)15-5-3-14(4-6-15)11-16(26)12-31(28,29)20-9-8-19(23)30-20;1-13-2-7-17-18(10-13)24(27)21(22(17)26)15-5-3-14(4-6-15)11-16(25)12-31(28,29)20-9-8-19(23)30-20;1-13-2-7-17-18(10-13)24-21(22(17)26)15-5-3-14(4-6-15)11-16(25)12-30(27,28)20-9-8-19(23)29-20/h2-10,12H,11,13H2,1H3;2-10,12H,11,13H2,1H3;2-10H,11-12H2,1H3,(H,24,27);2-10,27H,11-12H2,1H3;2-10H,11-12H2,1H3/q;;;+1;.
What are the key properties of 2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1-hydroxy-6-methylindol-1-ium-3-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methylchromen-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-cinnolin-4-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-5-methylinden-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one?
2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1-hydroxy-6-methylindol-1-ium-3-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methylchromen-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-cinnolin-4-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-5-methylinden-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one has a molecular weight of 2335.84 g/mol, XLogP of 22.93, 30 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1-hydroxy-6-methylindol-1-ium-3-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methylchromen-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-cinnolin-4-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-5-methylinden-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one is sourced from PubChem (CID 158530610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).