5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine

C122H139Cl2N23O17S5 — CID 157074933

About 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine

5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine (PubChem CID 157074933) has the molecular formula C122H139Cl2N23O17S5 and a molecular weight of 2430.84 g/mol. Its IUPAC name is 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine.

Molecular Properties

• Compound Name: 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine
• PubChem CID: 157074933
• Molecular Formula: C122H139Cl2N23O17S5
• Molecular Weight: 2430.84 g/mol
• Exact Mass: 2427.87
• IUPAC Name: 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine
• SMILES: COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2cnnc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(C(N)=O)c1.Cc1ccccc1C(N)=O.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O
• InChI: InChI=1S/C9H10N4.C9H9N3O.2C9H9N3.2C9H10N2O.C9H11NO2.C9H12O3S.C8H11NO3S.2C8H9NO.C8H10O2S.C7H9NO2S.C6H6ClN.C5H5ClS/c1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-6-3-4-7(12-2)5-8(6)9(10)11;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)11(2,9)10;1-6-4-2-3-5-7(6)11(8,9)10;1-5-2-3-6(7)4-8-5;1-4-2-3-5(6)7-4/h2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,11,12,13);2*2-5H,1H3,(H2,10,12);2*2-4H,5H2,1H3,(H2,10,11);3-5H,1-2H3,(H2,10,11);4-6H,1-3H3;3-5H,1-2H3,(H2,9,10,11);2*2-5H,1H3,(H2,9,10);3-6H,1-2H3;2-5H,1H3,(H2,8,9,10);2-4H,1H3;2-3H,1H3
• InChIKey: ACWCVEGAISXNHZ-UHFFFAOYSA-N
• XLogP: 19.65
• TPSA: 696.63 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 34
• Rotatable Bonds: 11
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2430.84
LogP ≤ 5	19.65
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine?

The IUPAC name of 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine (CID 157074933) is 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine.

What is the SMILES notation for 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine?

The canonical SMILES for 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine is COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2cnnc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(C(N)=O)c1.Cc1ccccc1C(N)=O.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.

What is the InChIKey of 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine?

The InChIKey is ACWCVEGAISXNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.C9H9N3O.2C9H9N3.2C9H10N2O.C9H11NO2.C9H12O3S.C8H11NO3S.2C8H9NO.C8H10O2S.C7H9NO2S.C6H6ClN.C5H5ClS/c1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-6-3-4-7(12-2)5-8(6)9(10)11;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)11(2,9)10;1-6-4-2-3-5-7(6)11(8,9)10;1-5-2-3-6(7)4-8-5;1-4-2-3-5(6)7-4/h2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,11,12,13);2*2-5H,1H3,(H2,10,12);2*2-4H,5H2,1H3,(H2,10,11);3-5H,1-2H3,(H2,10,11);4-6H,1-3H3;3-5H,1-2H3,(H2,9,10,11);2*2-5H,1H3,(H2,9,10);3-6H,1-2H3;2-5H,1H3,(H2,8,9,10);2-4H,1H3;2-3H,1H3.

What are the key properties of 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine?

5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine has a molecular weight of 2430.84 g/mol, XLogP of 19.65, 11 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine is sourced from PubChem (CID 157074933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).