N,N-diethyl-4-propan-2-ylbenzenesulfonamide;2,4-dimethyl-1-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-2,3-dihydro-1H-indole;1,4-di(propan-2-yl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene

C149H209F2N7O2S — CID 157198173

About N,N-diethyl-4-propan-2-ylbenzenesulfonamide;2,4-dimethyl-1-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-2,3-dihydro-1H-indole;1,4-di(propan-2-yl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene

N,N-diethyl-4-propan-2-ylbenzenesulfonamide;2,4-dimethyl-1-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-2,3-dihydro-1H-indole;1,4-di(propan-2-yl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 157198173) has the molecular formula C149H209F2N7O2S and a molecular weight of 2200.42 g/mol. Its IUPAC name is N,N-diethyl-4-propan-2-ylbenzenesulfonamide;2,4-dimethyl-1-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-2,3-dihydro-1H-indole;1,4-di(propan-2-yl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: N,N-diethyl-4-propan-2-ylbenzenesulfonamide;2,4-dimethyl-1-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-2,3-dihydro-1H-indole;1,4-di(propan-2-yl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 157198173
• Molecular Formula: C149H209F2N7O2S
• Molecular Weight: 2200.42 g/mol
• Exact Mass: 2198.62
• IUPAC Name: N,N-diethyl-4-propan-2-ylbenzenesulfonamide;2,4-dimethyl-1-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-2,3-dihydro-1H-indole;1,4-di(propan-2-yl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
• SMILES: CC(C)c1c[nH]c2ccccc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc2c(c1)C(C)C(C)N2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccn(C)n1.CC(C)c1ccnc(F)c1.CCN(CC)S(=O)(=O)c1ccc(C(C)C)cc1.Cc1[nH]c2ccccc2c1C(C)C.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1
• InChI: InChI=1S/C13H21NO2S.C13H19N.C13H18.C12H15N.C12H18.C11H13N.C11H16.4C10H14.C9H11F.C8H10FN.C7H12N2/c1-5-14(6-2)17(15,16)13-9-7-12(8-10-13)11(3)4;1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-6-5-9(3)7-10(11)4;2*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-5-9(3)8-7/h7-11H,5-6H2,1-4H3;5-10,14H,1-4H3;7-10H,3-6H2,1-2H3;4-8,13H,1-3H3;5-10H,1-4H3;3-8,12H,1-2H3;5-8H,1-4H3;4*4-8H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;4-6H,1-3H3
• InChIKey: AQMIFMCMMFEWFC-UHFFFAOYSA-N
• XLogP: 43.82
• TPSA: 111.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2200.42
LogP ≤ 5	43.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-propan-2-ylbenzenesulfonamide;2,4-dimethyl-1-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-2,3-dihydro-1H-indole;1,4-di(propan-2-yl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?

The IUPAC name of N,N-diethyl-4-propan-2-ylbenzenesulfonamide;2,4-dimethyl-1-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-2,3-dihydro-1H-indole;1,4-di(propan-2-yl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 157198173) is N,N-diethyl-4-propan-2-ylbenzenesulfonamide;2,4-dimethyl-1-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-2,3-dihydro-1H-indole;1,4-di(propan-2-yl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for N,N-diethyl-4-propan-2-ylbenzenesulfonamide;2,4-dimethyl-1-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-2,3-dihydro-1H-indole;1,4-di(propan-2-yl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for N,N-diethyl-4-propan-2-ylbenzenesulfonamide;2,4-dimethyl-1-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-2,3-dihydro-1H-indole;1,4-di(propan-2-yl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene is CC(C)c1c[nH]c2ccccc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc2c(c1)C(C)C(C)N2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccn(C)n1.CC(C)c1ccnc(F)c1.CCN(CC)S(=O)(=O)c1ccc(C(C)C)cc1.Cc1[nH]c2ccccc2c1C(C)C.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.

What is the InChIKey of N,N-diethyl-4-propan-2-ylbenzenesulfonamide;2,4-dimethyl-1-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-2,3-dihydro-1H-indole;1,4-di(propan-2-yl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?

The InChIKey is AQMIFMCMMFEWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S.C13H19N.C13H18.C12H15N.C12H18.C11H13N.C11H16.4C10H14.C9H11F.C8H10FN.C7H12N2/c1-5-14(6-2)17(15,16)13-9-7-12(8-10-13)11(3)4;1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-6-5-9(3)7-10(11)4;2*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-5-9(3)8-7/h7-11H,5-6H2,1-4H3;5-10,14H,1-4H3;7-10H,3-6H2,1-2H3;4-8,13H,1-3H3;5-10H,1-4H3;3-8,12H,1-2H3;5-8H,1-4H3;4*4-8H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;4-6H,1-3H3.

What are the key properties of N,N-diethyl-4-propan-2-ylbenzenesulfonamide;2,4-dimethyl-1-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-2,3-dihydro-1H-indole;1,4-di(propan-2-yl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?

N,N-diethyl-4-propan-2-ylbenzenesulfonamide;2,4-dimethyl-1-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-2,3-dihydro-1H-indole;1,4-di(propan-2-yl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 2200.42 g/mol, XLogP of 43.82, 19 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-4-propan-2-ylbenzenesulfonamide;2,4-dimethyl-1-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-2,3-dihydro-1H-indole;1,4-di(propan-2-yl)benzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 157198173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).