3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indole

C82H86Cl3F2N11O5S2 — CID 161137364

IUPAC3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indole
SMILESCOc1ccc(C)c(S(N)(=O)=O)c1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1ccc(C)nc1.Cc1ccc(F)cn1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(F)c[nH]c2c1.Cc1ccc2cc[nH]c2c1.Cc1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H11N.2C9H8ClN.C9H8FN.C9H9N.C8H7ClN2.C8H11NO3S.C7H9NO2S.C7H9N.C6H6FN/c1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-6-2-3-7-8(10)5-11-9(7)4-6;1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-6-3-7(9)4-10-8(6)11-5;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-4-2-3-5-7(6)11(8,9)10;1-6-3-4-7(2)8-5-6;1-5-2-3-6(7)4-8-5/h3-6,11H,1-2H3;3*2-5,11H,1H3;2-6,10H,1H3;2-4H,1H3,(H,10,11);3-5H,1-2H3,(H2,9,10,11);2-5H,1H3,(H2,8,9,10);3-5H,1-2H3;2-4H,1H3
InChIKeyUMYVYDHPXJLGFQ-UHFFFAOYSA-N
MW1514.15 g/mol
LogP21.18
Rot. Bonds3

About 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indole

3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indole (PubChem CID 161137364) has the molecular formula C82H86Cl3F2N11O5S2 and a molecular weight of 1514.15 g/mol. Its IUPAC name is 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indole.

Molecular Properties

Compound Name3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indole
PubChem CID161137364
Molecular FormulaC82H86Cl3F2N11O5S2
Molecular Weight1514.15 g/mol
Exact Mass1511.53
IUPAC Name3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indole
SMILESCOc1ccc(C)c(S(N)(=O)=O)c1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1ccc(C)nc1.Cc1ccc(F)cn1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(F)c[nH]c2c1.Cc1ccc2cc[nH]c2c1.Cc1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H11N.2C9H8ClN.C9H8FN.C9H9N.C8H7ClN2.C8H11NO3S.C7H9NO2S.C7H9N.C6H6FN/c1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-6-2-3-7-8(10)5-11-9(7)4-6;1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-6-3-7(9)4-10-8(6)11-5;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-4-2-3-5-7(6)11(8,9)10;1-6-3-4-7(2)8-5-6;1-5-2-3-6(7)4-8-5/h3-6,11H,1-2H3;3*2-5,11H,1H3;2-6,10H,1H3;2-4H,1H3,(H,10,11);3-5H,1-2H3,(H2,9,10,11);2-5H,1H3,(H2,8,9,10);3-5H,1-2H3;2-4H,1H3
InChIKeyUMYVYDHPXJLGFQ-UHFFFAOYSA-N
XLogP21.18
TPSA262.96 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001514.15
LogP ≤ 521.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indole?
The IUPAC name of 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indole (CID 161137364) is 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indole.
What is the SMILES notation for 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indole?
The canonical SMILES for 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indole is COc1ccc(C)c(S(N)(=O)=O)c1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1ccc(C)nc1.Cc1ccc(F)cn1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(F)c[nH]c2c1.Cc1ccc2cc[nH]c2c1.Cc1ccccc1S(N)(=O)=O.
What is the InChIKey of 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indole?
The InChIKey is UMYVYDHPXJLGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.2C9H8ClN.C9H8FN.C9H9N.C8H7ClN2.C8H11NO3S.C7H9NO2S.C7H9N.C6H6FN/c1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-6-2-3-7-8(10)5-11-9(7)4-6;1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-6-3-7(9)4-10-8(6)11-5;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-4-2-3-5-7(6)11(8,9)10;1-6-3-4-7(2)8-5-6;1-5-2-3-6(7)4-8-5/h3-6,11H,1-2H3;3*2-5,11H,1H3;2-6,10H,1H3;2-4H,1H3,(H,10,11);3-5H,1-2H3,(H2,9,10,11);2-5H,1H3,(H2,8,9,10);3-5H,1-2H3;2-4H,1H3.
What are the key properties of 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indole?
3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indole has a molecular weight of 1514.15 g/mol, XLogP of 21.18, 3 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indole is sourced from PubChem (CID 161137364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).