1-benzylsulfonyl-4-methylbenzene;1,1'-biphenyl;2-cyclopropylpyridine;tetradecakis(2,2-dimethylpropane);ethylbenzene;1-fluoro-3-methylbenzene;1H-indene;isoquinoline;1-methoxy-2-methylbenzene;1-(2-methylpropyl)pyrazole;3-methylpyridine;2-(methylsulfonylmethyl)pyridine;naphthalene;2-propyl-1H-imidazo[4,5-b]pyridine;quinoline

C193H297FN10O5S2 — CID 162229482

IUPAC1-benzylsulfonyl-4-methylbenzene;1,1'-biphenyl;2-cyclopropylpyridine;tetradecakis(2,2-dimethylpropane);ethylbenzene;1-fluoro-3-methylbenzene;1H-indene;isoquinoline;1-methoxy-2-methylbenzene;1-(2-methylpropyl)pyrazole;3-methylpyridine;2-(methylsulfonylmethyl)pyridine;naphthalene;2-propyl-1H-imidazo[4,5-b]pyridine;quinoline
SMILESC1=Cc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)Cn1cccn1.CCCc1nc2ncccc2[nH]1.CCc1ccccc1.COc1ccccc1C.CS(=O)(=O)Cc1ccccn1.Cc1ccc(S(=O)(=O)Cc2ccccc2)cc1.Cc1cccc(F)c1.Cc1cccnc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2CC2)nc1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/C14H14O2S.C12H10.C10H8.C9H11N3.2C9H7N.C9H8.C8H9N.C8H10O.C8H10.C7H7F.C7H12N2.C7H9NO2S.C6H7N.14C5H12/c1-12-7-9-14(10-8-12)17(15,16)11-13-5-3-2-4-6-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-8-11-7-5-3-6-10-9(7)12-8;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-2-6-9-8(3-1)7-4-5-7;1-7-5-3-4-6-8(7)9-2;1-2-8-6-4-3-5-7-8;1-6-3-2-4-7(8)5-6;1-7(2)6-9-5-3-4-8-9;1-11(9,10)6-7-4-2-3-5-8-7;1-6-3-2-4-7-5-6;14*1-5(2,3)4/h2-10H,11H2,1H3;1-10H;1-8H;3,5-6H,2,4H2,1H3,(H,10,11,12);2*1-7H;1-6H,7H2;1-3,6-7H,4-5H2;3-6H,1-2H3;3-7H,2H2,1H3;2-5H,1H3;3-5,7H,6H2,1-2H3;2-5H,6H2,1H3;2-5H,1H3;14*1-4H3
InChIKeyZVFLBSDMGYIFBA-UHFFFAOYSA-N
MW2920.70 g/mol
LogP58.43
Rot. Bonds13

About 1-benzylsulfonyl-4-methylbenzene;1,1'-biphenyl;2-cyclopropylpyridine;tetradecakis(2,2-dimethylpropane);ethylbenzene;1-fluoro-3-methylbenzene;1H-indene;isoquinoline;1-methoxy-2-methylbenzene;1-(2-methylpropyl)pyrazole;3-methylpyridine;2-(methylsulfonylmethyl)pyridine;naphthalene;2-propyl-1H-imidazo[4,5-b]pyridine;quinoline

1-benzylsulfonyl-4-methylbenzene;1,1'-biphenyl;2-cyclopropylpyridine;tetradecakis(2,2-dimethylpropane);ethylbenzene;1-fluoro-3-methylbenzene;1H-indene;isoquinoline;1-methoxy-2-methylbenzene;1-(2-methylpropyl)pyrazole;3-methylpyridine;2-(methylsulfonylmethyl)pyridine;naphthalene;2-propyl-1H-imidazo[4,5-b]pyridine;quinoline (PubChem CID 162229482) has the molecular formula C193H297FN10O5S2 and a molecular weight of 2920.70 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-methylbenzene;1,1'-biphenyl;2-cyclopropylpyridine;tetradecakis(2,2-dimethylpropane);ethylbenzene;1-fluoro-3-methylbenzene;1H-indene;isoquinoline;1-methoxy-2-methylbenzene;1-(2-methylpropyl)pyrazole;3-methylpyridine;2-(methylsulfonylmethyl)pyridine;naphthalene;2-propyl-1H-imidazo[4,5-b]pyridine;quinoline.

Molecular Properties

Compound Name1-benzylsulfonyl-4-methylbenzene;1,1'-biphenyl;2-cyclopropylpyridine;tetradecakis(2,2-dimethylpropane);ethylbenzene;1-fluoro-3-methylbenzene;1H-indene;isoquinoline;1-methoxy-2-methylbenzene;1-(2-methylpropyl)pyrazole;3-methylpyridine;2-(methylsulfonylmethyl)pyridine;naphthalene;2-propyl-1H-imidazo[4,5-b]pyridine;quinoline
PubChem CID162229482
Molecular FormulaC193H297FN10O5S2
Molecular Weight2920.70 g/mol
Exact Mass2918.27
IUPAC Name1-benzylsulfonyl-4-methylbenzene;1,1'-biphenyl;2-cyclopropylpyridine;tetradecakis(2,2-dimethylpropane);ethylbenzene;1-fluoro-3-methylbenzene;1H-indene;isoquinoline;1-methoxy-2-methylbenzene;1-(2-methylpropyl)pyrazole;3-methylpyridine;2-(methylsulfonylmethyl)pyridine;naphthalene;2-propyl-1H-imidazo[4,5-b]pyridine;quinoline
SMILESC1=Cc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)Cn1cccn1.CCCc1nc2ncccc2[nH]1.CCc1ccccc1.COc1ccccc1C.CS(=O)(=O)Cc1ccccn1.Cc1ccc(S(=O)(=O)Cc2ccccc2)cc1.Cc1cccc(F)c1.Cc1cccnc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2CC2)nc1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/C14H14O2S.C12H10.C10H8.C9H11N3.2C9H7N.C9H8.C8H9N.C8H10O.C8H10.C7H7F.C7H12N2.C7H9NO2S.C6H7N.14C5H12/c1-12-7-9-14(10-8-12)17(15,16)11-13-5-3-2-4-6-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-8-11-7-5-3-6-10-9(7)12-8;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-2-6-9-8(3-1)7-4-5-7;1-7-5-3-4-6-8(7)9-2;1-2-8-6-4-3-5-7-8;1-6-3-2-4-7(8)5-6;1-7(2)6-9-5-3-4-8-9;1-11(9,10)6-7-4-2-3-5-8-7;1-6-3-2-4-7-5-6;14*1-5(2,3)4/h2-10H,11H2,1H3;1-10H;1-8H;3,5-6H,2,4H2,1H3,(H,10,11,12);2*1-7H;1-6H,7H2;1-3,6-7H,4-5H2;3-6H,1-2H3;3-7H,2H2,1H3;2-5H,1H3;3-5,7H,6H2,1-2H3;2-5H,6H2,1H3;2-5H,1H3;14*1-4H3
InChIKeyZVFLBSDMGYIFBA-UHFFFAOYSA-N
XLogP58.43
TPSA201.35 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002920.70
LogP ≤ 558.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 1-benzylsulfonyl-4-methylbenzene;1,1'-biphenyl;2-cyclopropylpyridine;tetradecakis(2,2-dimethylpropane);ethylbenzene;1-fluoro-3-methylbenzene;1H-indene;isoquinoline;1-methoxy-2-methylbenzene;1-(2-methylpropyl)pyrazole;3-methylpyridine;2-(methylsulfonylmethyl)pyridine;naphthalene;2-propyl-1H-imidazo[4,5-b]pyridine;quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;ethylbenzene;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethylnaphthalene;1-ethyl-2,3,4,5,6-pentafluorobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluorobenzene;2-ethyl-1,3,4,5-tetrafluorobenzene;3-ethyl-1,2,4,5-tetrafluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;bis(prop-1-ene)
CID 158074935
6-[4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 11786587
3-[(4-methylphenyl)sulfonylmethyl]pyridine
CID 14062684
cumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole
CID 158941244
N-hydroxy-7-[3-[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]sulfonylphenyl]heptanamide
CID 54046907
1-butylpyrrole;2-methyl-1H-benzimidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene
CID 159841710
1-ethoxy-4-methylbenzene;1-fluoro-4-methylbenzene;methane;2-methoxy-1,4-dimethylbenzene;1-methoxy-4-methylbenzene;2-methylnaphthalene;1-methyl-4-phenylbenzene;1-methyl-4-(trifluoromethyl)benzene;toluene;1,4-xylene
CID 162225439
6-chloro-8-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;6,8-dichloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine;2-(4-ethylphenyl)imidazo[1,2-a]pyridine;2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methylphenyl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)imidazo[1,2-a]pyridine;2-phenylimidazo[1,2-a]pyridine;2-(4-phenylphenyl)imidazo[1,2-a]pyridine;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
CID 160726715
trans-(1S,3S)-1-N-[5-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1,3-diamine
CID 171767362
1-bromo-4-methylbenzene;N-butyl-N-methylbutan-1-amine;1-chloro-4-methylbenzene;1-fluoro-4-methylbenzene;2-[2-hydroxyethyl(methyl)amino]ethanol;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;1,2,3-trimethoxy-5-methylbenzene
CID 158127026
[2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-5-pyridin-3-yl-2-bicyclo[2.2.2]oct-5-enyl] 2-methylpropanoate
CID 90834944
1-butylimidazole;2-methyl-1H-benzimidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,4-xylene
CID 159653060

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-methylbenzene;1,1'-biphenyl;2-cyclopropylpyridine;tetradecakis(2,2-dimethylpropane);ethylbenzene;1-fluoro-3-methylbenzene;1H-indene;isoquinoline;1-methoxy-2-methylbenzene;1-(2-methylpropyl)pyrazole;3-methylpyridine;2-(methylsulfonylmethyl)pyridine;naphthalene;2-propyl-1H-imidazo[4,5-b]pyridine;quinoline?
The IUPAC name of 1-benzylsulfonyl-4-methylbenzene;1,1'-biphenyl;2-cyclopropylpyridine;tetradecakis(2,2-dimethylpropane);ethylbenzene;1-fluoro-3-methylbenzene;1H-indene;isoquinoline;1-methoxy-2-methylbenzene;1-(2-methylpropyl)pyrazole;3-methylpyridine;2-(methylsulfonylmethyl)pyridine;naphthalene;2-propyl-1H-imidazo[4,5-b]pyridine;quinoline (CID 162229482) is 1-benzylsulfonyl-4-methylbenzene;1,1'-biphenyl;2-cyclopropylpyridine;tetradecakis(2,2-dimethylpropane);ethylbenzene;1-fluoro-3-methylbenzene;1H-indene;isoquinoline;1-methoxy-2-methylbenzene;1-(2-methylpropyl)pyrazole;3-methylpyridine;2-(methylsulfonylmethyl)pyridine;naphthalene;2-propyl-1H-imidazo[4,5-b]pyridine;quinoline.
What is the SMILES notation for 1-benzylsulfonyl-4-methylbenzene;1,1'-biphenyl;2-cyclopropylpyridine;tetradecakis(2,2-dimethylpropane);ethylbenzene;1-fluoro-3-methylbenzene;1H-indene;isoquinoline;1-methoxy-2-methylbenzene;1-(2-methylpropyl)pyrazole;3-methylpyridine;2-(methylsulfonylmethyl)pyridine;naphthalene;2-propyl-1H-imidazo[4,5-b]pyridine;quinoline?
The canonical SMILES for 1-benzylsulfonyl-4-methylbenzene;1,1'-biphenyl;2-cyclopropylpyridine;tetradecakis(2,2-dimethylpropane);ethylbenzene;1-fluoro-3-methylbenzene;1H-indene;isoquinoline;1-methoxy-2-methylbenzene;1-(2-methylpropyl)pyrazole;3-methylpyridine;2-(methylsulfonylmethyl)pyridine;naphthalene;2-propyl-1H-imidazo[4,5-b]pyridine;quinoline is C1=Cc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)Cn1cccn1.CCCc1nc2ncccc2[nH]1.CCc1ccccc1.COc1ccccc1C.CS(=O)(=O)Cc1ccccn1.Cc1ccc(S(=O)(=O)Cc2ccccc2)cc1.Cc1cccc(F)c1.Cc1cccnc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2CC2)nc1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.
What is the InChIKey of 1-benzylsulfonyl-4-methylbenzene;1,1'-biphenyl;2-cyclopropylpyridine;tetradecakis(2,2-dimethylpropane);ethylbenzene;1-fluoro-3-methylbenzene;1H-indene;isoquinoline;1-methoxy-2-methylbenzene;1-(2-methylpropyl)pyrazole;3-methylpyridine;2-(methylsulfonylmethyl)pyridine;naphthalene;2-propyl-1H-imidazo[4,5-b]pyridine;quinoline?
The InChIKey is ZVFLBSDMGYIFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S.C12H10.C10H8.C9H11N3.2C9H7N.C9H8.C8H9N.C8H10O.C8H10.C7H7F.C7H12N2.C7H9NO2S.C6H7N.14C5H12/c1-12-7-9-14(10-8-12)17(15,16)11-13-5-3-2-4-6-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-8-11-7-5-3-6-10-9(7)12-8;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-2-6-9-8(3-1)7-4-5-7;1-7-5-3-4-6-8(7)9-2;1-2-8-6-4-3-5-7-8;1-6-3-2-4-7(8)5-6;1-7(2)6-9-5-3-4-8-9;1-11(9,10)6-7-4-2-3-5-8-7;1-6-3-2-4-7-5-6;14*1-5(2,3)4/h2-10H,11H2,1H3;1-10H;1-8H;3,5-6H,2,4H2,1H3,(H,10,11,12);2*1-7H;1-6H,7H2;1-3,6-7H,4-5H2;3-6H,1-2H3;3-7H,2H2,1H3;2-5H,1H3;3-5,7H,6H2,1-2H3;2-5H,6H2,1H3;2-5H,1H3;14*1-4H3.
What are the key properties of 1-benzylsulfonyl-4-methylbenzene;1,1'-biphenyl;2-cyclopropylpyridine;tetradecakis(2,2-dimethylpropane);ethylbenzene;1-fluoro-3-methylbenzene;1H-indene;isoquinoline;1-methoxy-2-methylbenzene;1-(2-methylpropyl)pyrazole;3-methylpyridine;2-(methylsulfonylmethyl)pyridine;naphthalene;2-propyl-1H-imidazo[4,5-b]pyridine;quinoline?
1-benzylsulfonyl-4-methylbenzene;1,1'-biphenyl;2-cyclopropylpyridine;tetradecakis(2,2-dimethylpropane);ethylbenzene;1-fluoro-3-methylbenzene;1H-indene;isoquinoline;1-methoxy-2-methylbenzene;1-(2-methylpropyl)pyrazole;3-methylpyridine;2-(methylsulfonylmethyl)pyridine;naphthalene;2-propyl-1H-imidazo[4,5-b]pyridine;quinoline has a molecular weight of 2920.70 g/mol, XLogP of 58.43, 13 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-methylbenzene;1,1'-biphenyl;2-cyclopropylpyridine;tetradecakis(2,2-dimethylpropane);ethylbenzene;1-fluoro-3-methylbenzene;1H-indene;isoquinoline;1-methoxy-2-methylbenzene;1-(2-methylpropyl)pyrazole;3-methylpyridine;2-(methylsulfonylmethyl)pyridine;naphthalene;2-propyl-1H-imidazo[4,5-b]pyridine;quinoline is sourced from PubChem (CID 162229482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).