8-amino-3-methylnaphthalene-2-sulfonamide;1-chloro-6-fluoro-7-methylnaphthalene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-methylisoquinoline;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

C196H187Cl8FN18O21S10 — CID 159030923

About 8-amino-3-methylnaphthalene-2-sulfonamide;1-chloro-6-fluoro-7-methylnaphthalene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-methylisoquinoline;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

8-amino-3-methylnaphthalene-2-sulfonamide;1-chloro-6-fluoro-7-methylnaphthalene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-methylisoquinoline;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 159030923) has the molecular formula C196H187Cl8FN18O21S10 and a molecular weight of 3754.05 g/mol. Its IUPAC name is 8-amino-3-methylnaphthalene-2-sulfonamide;1-chloro-6-fluoro-7-methylnaphthalene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-methylisoquinoline;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

• Compound Name: 8-amino-3-methylnaphthalene-2-sulfonamide;1-chloro-6-fluoro-7-methylnaphthalene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-methylisoquinoline;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
• PubChem CID: 159030923
• Molecular Formula: C196H187Cl8FN18O21S10
• Molecular Weight: 3754.05 g/mol
• Exact Mass: 3746.88
• IUPAC Name: 8-amino-3-methylnaphthalene-2-sulfonamide;1-chloro-6-fluoro-7-methylnaphthalene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-methylisoquinoline;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
• SMILES: Cc1cc2c(Cl)cccc2cc1C(N)=O.Cc1cc2c(Cl)cccc2cc1CN.Cc1cc2c(Cl)cccc2cc1Cl.Cc1cc2c(Cl)cccc2cc1F.Cc1cc2c(Cl)cccc2cc1S(C)(=O)=O.Cc1cc2c(Cl)cccc2cc1S(N)(=O)=O.Cc1cc2cccc(N)c2cc1S(C)(=O)=O.Cc1cc2cccc(N)c2cc1S(N)(=O)=O.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1cc2ccncc2cc1S(C)(=O)=O.Cc1cc2ccncc2cc1S(N)(=O)=O.Cc1cc2cnccc2cc1S(C)(=O)=O.Cc1cc2cnccc2cc1S(N)(=O)=O.Cc1ccc2c(n1)NCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cccnc2n1.Cc1ccc2ccncc2c1
• InChI: InChI=1S/C12H10ClNO.C12H12ClN.C12H11ClO2S.C12H13NO2S.C12H12O2S.C11H8Cl2.C11H8ClF.C11H10ClNO2S.C11H9Cl.C11H12N2O2S.3C11H11NO2S.2C10H10N2O2S.C10H9N.C9H12N2.C9H8N2/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;1-8-5-11-9(6-10(8)7-14)3-2-4-12(11)13;1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;1-8-6-9-4-3-5-11(13)10(9)7-12(8)16(2,14)15;1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;2*1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)15;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7-5-8-3-2-4-10(12)9(8)6-11(7)16(13,14)15;1-8-5-10-7-12-4-3-9(10)6-11(8)15(2,13)14;1-8-5-9-3-4-12-7-10(9)6-11(8)15(2,13)14;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;1-7-4-9-6-12-3-2-8(9)5-10(7)15(11,13)14;1-7-4-8-2-3-12-6-9(8)5-10(7)15(11,13)14;1-8-2-3-9-4-5-11-7-10(9)6-8;2*1-7-4-5-8-3-2-6-10-9(8)11-7/h2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;3-7H,1-2H3;3-7H,13H2,1-2H3;3-8H,1-2H3;2*2-6H,1H3;2-6H,1H3,(H2,13,14,15);2-7H,1H3;2-6H,12H2,1H3,(H2,13,14,15);2*3-7H,1-2H3;2-7H,1H3,(H2,12,13,14);2*2-6H,1H3,(H2,11,13,14);2-7H,1H3;4-5H,2-3,6H2,1H3,(H,10,11);2-6H,1H3
• InChIKey: JUWJAAUMDIEVKV-UHFFFAOYSA-N
• XLogP: 44.38
• TPSA: 707.80 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 12
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3754.05
LogP ≤ 5	44.38
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-methylnaphthalene-2-sulfonamide;1-chloro-6-fluoro-7-methylnaphthalene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-methylisoquinoline;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?

The IUPAC name of 8-amino-3-methylnaphthalene-2-sulfonamide;1-chloro-6-fluoro-7-methylnaphthalene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-methylisoquinoline;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 159030923) is 8-amino-3-methylnaphthalene-2-sulfonamide;1-chloro-6-fluoro-7-methylnaphthalene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-methylisoquinoline;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.

What is the SMILES notation for 8-amino-3-methylnaphthalene-2-sulfonamide;1-chloro-6-fluoro-7-methylnaphthalene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-methylisoquinoline;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?

The canonical SMILES for 8-amino-3-methylnaphthalene-2-sulfonamide;1-chloro-6-fluoro-7-methylnaphthalene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-methylisoquinoline;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is Cc1cc2c(Cl)cccc2cc1C(N)=O.Cc1cc2c(Cl)cccc2cc1CN.Cc1cc2c(Cl)cccc2cc1Cl.Cc1cc2c(Cl)cccc2cc1F.Cc1cc2c(Cl)cccc2cc1S(C)(=O)=O.Cc1cc2c(Cl)cccc2cc1S(N)(=O)=O.Cc1cc2cccc(N)c2cc1S(C)(=O)=O.Cc1cc2cccc(N)c2cc1S(N)(=O)=O.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1cc2ccncc2cc1S(C)(=O)=O.Cc1cc2ccncc2cc1S(N)(=O)=O.Cc1cc2cnccc2cc1S(C)(=O)=O.Cc1cc2cnccc2cc1S(N)(=O)=O.Cc1ccc2c(n1)NCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cccnc2n1.Cc1ccc2ccncc2c1.

What is the InChIKey of 8-amino-3-methylnaphthalene-2-sulfonamide;1-chloro-6-fluoro-7-methylnaphthalene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-methylisoquinoline;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?

The InChIKey is JUWJAAUMDIEVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO.C12H12ClN.C12H11ClO2S.C12H13NO2S.C12H12O2S.C11H8Cl2.C11H8ClF.C11H10ClNO2S.C11H9Cl.C11H12N2O2S.3C11H11NO2S.2C10H10N2O2S.C10H9N.C9H12N2.C9H8N2/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;1-8-5-11-9(6-10(8)7-14)3-2-4-12(11)13;1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;1-8-6-9-4-3-5-11(13)10(9)7-12(8)16(2,14)15;1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;2*1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)15;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7-5-8-3-2-4-10(12)9(8)6-11(7)16(13,14)15;1-8-5-10-7-12-4-3-9(10)6-11(8)15(2,13)14;1-8-5-9-3-4-12-7-10(9)6-11(8)15(2,13)14;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;1-7-4-9-6-12-3-2-8(9)5-10(7)15(11,13)14;1-7-4-8-2-3-12-6-9(8)5-10(7)15(11,13)14;1-8-2-3-9-4-5-11-7-10(9)6-8;2*1-7-4-5-8-3-2-6-10-9(8)11-7/h2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;3-7H,1-2H3;3-7H,13H2,1-2H3;3-8H,1-2H3;2*2-6H,1H3;2-6H,1H3,(H2,13,14,15);2-7H,1H3;2-6H,12H2,1H3,(H2,13,14,15);2*3-7H,1-2H3;2-7H,1H3,(H2,12,13,14);2*2-6H,1H3,(H2,11,13,14);2-7H,1H3;4-5H,2-3,6H2,1H3,(H,10,11);2-6H,1H3.

What are the key properties of 8-amino-3-methylnaphthalene-2-sulfonamide;1-chloro-6-fluoro-7-methylnaphthalene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-methylisoquinoline;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?

8-amino-3-methylnaphthalene-2-sulfonamide;1-chloro-6-fluoro-7-methylnaphthalene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-methylisoquinoline;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 3754.05 g/mol, XLogP of 44.38, 12 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 8-amino-3-methylnaphthalene-2-sulfonamide;1-chloro-6-fluoro-7-methylnaphthalene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-methylisoquinoline;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 159030923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).