3-chloro-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;1-ethyl-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzenesulfonamide;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;1-methyl-2-methylsulfonylbenzene

C137H151Cl4F2N15O10S5 — CID 157150303

IUPAC3-chloro-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;1-ethyl-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzenesulfonamide;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;1-methyl-2-methylsulfonylbenzene
SMILESCCc1ccc(C)cc1.COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1ccc(C)nc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)cn1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(F)c[nH]c2c1.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2cc[nH]c2c1.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Clc1c[nH]c2ccccc12
InChIInChI=1S/C10H11N.C9H8ClN.C9H8FN.2C9H10N2.2C9H9N.C9H12O3S.C9H12.C8H6ClN.C8H11NO3S.C8H10O2S.C7H9NO2S.C7H9N.C6H6ClN.C6H6FN.C5H5ClS/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;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-3-9-6-4-8(2)5-7-9;9-7-5-10-8-4-2-1-3-6(7)8;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-7-5-3-4-6-8(7)11(2,9)10;1-6-4-2-3-5-7(6)11(8,9)10;1-6-3-4-7(2)8-5-6;2*1-5-2-3-6(7)4-8-5;1-4-2-3-5(6)7-4/h3-6,11H,1-2H3;2*2-5,11H,1H3;2*2-4H,5H2,1H3,(H2,10,11);2*2-6,10H,1H3;4-6H,1-3H3;4-7H,3H2,1-2H3;1-5,10H;3-5H,1-2H3,(H2,9,10,11);3-6H,1-2H3;2-5H,1H3,(H2,8,9,10);3-5H,1-2H3;2*2-4H,1H3;2-3H,1H3
InChIKeyALEGVZOQNAWFPZ-UHFFFAOYSA-N
MW2507.95 g/mol
LogP33.37
Rot. Bonds7

About 3-chloro-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;1-ethyl-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzenesulfonamide;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;1-methyl-2-methylsulfonylbenzene

3-chloro-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;1-ethyl-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzenesulfonamide;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;1-methyl-2-methylsulfonylbenzene (PubChem CID 157150303) has the molecular formula C137H151Cl4F2N15O10S5 and a molecular weight of 2507.95 g/mol. Its IUPAC name is 3-chloro-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;1-ethyl-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzenesulfonamide;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;1-methyl-2-methylsulfonylbenzene.

Molecular Properties

Compound Name3-chloro-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;1-ethyl-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzenesulfonamide;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;1-methyl-2-methylsulfonylbenzene
PubChem CID157150303
Molecular FormulaC137H151Cl4F2N15O10S5
Molecular Weight2507.95 g/mol
Exact Mass2503.91
IUPAC Name3-chloro-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;1-ethyl-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzenesulfonamide;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;1-methyl-2-methylsulfonylbenzene
SMILESCCc1ccc(C)cc1.COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1ccc(C)nc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)cn1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(F)c[nH]c2c1.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2cc[nH]c2c1.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Clc1c[nH]c2ccccc12
InChIInChI=1S/C10H11N.C9H8ClN.C9H8FN.2C9H10N2.2C9H9N.C9H12O3S.C9H12.C8H6ClN.C8H11NO3S.C8H10O2S.C7H9NO2S.C7H9N.C6H6ClN.C6H6FN.C5H5ClS/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;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-3-9-6-4-8(2)5-7-9;9-7-5-10-8-4-2-1-3-6(7)8;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-7-5-3-4-6-8(7)11(2,9)10;1-6-4-2-3-5-7(6)11(8,9)10;1-6-3-4-7(2)8-5-6;2*1-5-2-3-6(7)4-8-5;1-4-2-3-5(6)7-4/h3-6,11H,1-2H3;2*2-5,11H,1H3;2*2-4H,5H2,1H3,(H2,10,11);2*2-6,10H,1H3;4-6H,1-3H3;4-7H,3H2,1-2H3;1-5,10H;3-5H,1-2H3,(H2,9,10,11);3-6H,1-2H3;2-5H,1H3,(H2,8,9,10);3-5H,1-2H3;2*2-4H,1H3;2-3H,1H3
InChIKeyALEGVZOQNAWFPZ-UHFFFAOYSA-N
XLogP33.37
TPSA417.23 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002507.95
LogP ≤ 533.37
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze 3-chloro-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;1-ethyl-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzenesulfonamide;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;1-methyl-2-methylsulfonylbenzene with MolForge

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Related Compounds

6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-methylisoquinoline;2-methylnaphthalene;6-methylquinoline
CID 160736912
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
6-chloro-3-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;1-methylindole-6-carboximidamide;6-methyl-3H-isoindol-1-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
CID 172972602

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;1-ethyl-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzenesulfonamide;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;1-methyl-2-methylsulfonylbenzene?
The IUPAC name of 3-chloro-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;1-ethyl-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzenesulfonamide;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;1-methyl-2-methylsulfonylbenzene (CID 157150303) is 3-chloro-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;1-ethyl-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzenesulfonamide;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;1-methyl-2-methylsulfonylbenzene.
What is the SMILES notation for 3-chloro-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;1-ethyl-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzenesulfonamide;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;1-methyl-2-methylsulfonylbenzene?
The canonical SMILES for 3-chloro-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;1-ethyl-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzenesulfonamide;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;1-methyl-2-methylsulfonylbenzene is CCc1ccc(C)cc1.COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1ccc(C)nc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)cn1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(F)c[nH]c2c1.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2cc[nH]c2c1.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Clc1c[nH]c2ccccc12.
What is the InChIKey of 3-chloro-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;1-ethyl-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzenesulfonamide;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;1-methyl-2-methylsulfonylbenzene?
The InChIKey is ALEGVZOQNAWFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C9H8ClN.C9H8FN.2C9H10N2.2C9H9N.C9H12O3S.C9H12.C8H6ClN.C8H11NO3S.C8H10O2S.C7H9NO2S.C7H9N.C6H6ClN.C6H6FN.C5H5ClS/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;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-3-9-6-4-8(2)5-7-9;9-7-5-10-8-4-2-1-3-6(7)8;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-7-5-3-4-6-8(7)11(2,9)10;1-6-4-2-3-5-7(6)11(8,9)10;1-6-3-4-7(2)8-5-6;2*1-5-2-3-6(7)4-8-5;1-4-2-3-5(6)7-4/h3-6,11H,1-2H3;2*2-5,11H,1H3;2*2-4H,5H2,1H3,(H2,10,11);2*2-6,10H,1H3;4-6H,1-3H3;4-7H,3H2,1-2H3;1-5,10H;3-5H,1-2H3,(H2,9,10,11);3-6H,1-2H3;2-5H,1H3,(H2,8,9,10);3-5H,1-2H3;2*2-4H,1H3;2-3H,1H3.
What are the key properties of 3-chloro-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;1-ethyl-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzenesulfonamide;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;1-methyl-2-methylsulfonylbenzene?
3-chloro-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;1-ethyl-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzenesulfonamide;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;1-methyl-2-methylsulfonylbenzene has a molecular weight of 2507.95 g/mol, XLogP of 33.37, 7 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;1-ethyl-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzenesulfonamide;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;1-methyl-2-methylsulfonylbenzene is sourced from PubChem (CID 157150303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).