1-chloro-2-(2-methylpropyl)benzene;4-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-(2-methylpropyl)benzene;2,4-dichloro-1-(2-methylpropyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;2,6-dimethoxy-N-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;1-ethoxy-2-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-(2-methylpropyl)benzene;4-propan-2-ylbenzenesulfonamide;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine

C143H195Cl9FN5O10S3 — CID 159489884

IUPAC1-chloro-2-(2-methylpropyl)benzene;4-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-(2-methylpropyl)benzene;2,4-dichloro-1-(2-methylpropyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;2,6-dimethoxy-N-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;1-ethoxy-2-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-(2-methylpropyl)benzene;4-propan-2-ylbenzenesulfonamide;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
SMILESCC(C)Cc1ccc(Cl)c(Cl)c1.CC(C)Cc1ccc(Cl)cc1Cl.CC(C)Cc1ccccc1Cl.CC(C)Nc1ccc(Cl)cc1.CC(C)c1cc(Cl)ccc1Cl.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(S(=O)(=O)N(C)C)cc1.CC(C)c1ccc(S(=O)(=O)N2CCCC2)cc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccccc1.CCOc1ccccc1CC(C)C.COc1ccc(C)cc1CC(C)C.COc1cccc(OC)c1NC(C)C
InChIInChI=1S/C13H19NO2S.2C12H18O.C11H17NO2S.C11H17NO2.2C10H12Cl2.C10H13Cl.C9H10Cl2.C9H12ClN.C9H11Cl.C9H11F.C9H13NO2S.C9H12/c1-11(2)12-5-7-13(8-6-12)17(15,16)14-9-3-4-10-14;1-9(2)7-11-8-10(3)5-6-12(11)13-4;1-4-13-12-8-6-5-7-11(12)9-10(2)3;1-9(2)10-5-7-11(8-6-10)15(13,14)12(3)4;1-8(2)12-11-9(13-3)6-5-7-10(11)14-4;1-7(2)5-8-3-4-9(11)6-10(8)12;1-7(2)5-8-3-4-9(11)10(12)6-8;1-8(2)7-9-5-3-4-6-10(9)11;1-6(2)8-5-7(10)3-4-9(8)11;1-7(2)11-9-5-3-8(10)4-6-9;2*1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-8(2)9-6-4-3-5-7-9/h5-8,11H,3-4,9-10H2,1-2H3;5-6,8-9H,7H2,1-4H3;5-8,10H,4,9H2,1-3H3;5-9H,1-4H3;5-8,12H,1-4H3;2*3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;3-6H,1-2H3;3-7,11H,1-2H3;2*3-7H,1-2H3;3-7H,1-2H3,(H2,10,11,12);3-8H,1-2H3
InChIKeyLYAZQSWNZNHXJS-UHFFFAOYSA-N
MW2578.43 g/mol
LogP43.54
Rot. Bonds31

About 1-chloro-2-(2-methylpropyl)benzene;4-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-(2-methylpropyl)benzene;2,4-dichloro-1-(2-methylpropyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;2,6-dimethoxy-N-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;1-ethoxy-2-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-(2-methylpropyl)benzene;4-propan-2-ylbenzenesulfonamide;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine

1-chloro-2-(2-methylpropyl)benzene;4-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-(2-methylpropyl)benzene;2,4-dichloro-1-(2-methylpropyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;2,6-dimethoxy-N-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;1-ethoxy-2-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-(2-methylpropyl)benzene;4-propan-2-ylbenzenesulfonamide;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine (PubChem CID 159489884) has the molecular formula C143H195Cl9FN5O10S3 and a molecular weight of 2578.43 g/mol. Its IUPAC name is 1-chloro-2-(2-methylpropyl)benzene;4-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-(2-methylpropyl)benzene;2,4-dichloro-1-(2-methylpropyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;2,6-dimethoxy-N-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;1-ethoxy-2-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-(2-methylpropyl)benzene;4-propan-2-ylbenzenesulfonamide;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-chloro-2-(2-methylpropyl)benzene;4-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-(2-methylpropyl)benzene;2,4-dichloro-1-(2-methylpropyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;2,6-dimethoxy-N-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;1-ethoxy-2-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-(2-methylpropyl)benzene;4-propan-2-ylbenzenesulfonamide;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
PubChem CID159489884
Molecular FormulaC143H195Cl9FN5O10S3
Molecular Weight2578.43 g/mol
Exact Mass2572.12
IUPAC Name1-chloro-2-(2-methylpropyl)benzene;4-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-(2-methylpropyl)benzene;2,4-dichloro-1-(2-methylpropyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;2,6-dimethoxy-N-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;1-ethoxy-2-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-(2-methylpropyl)benzene;4-propan-2-ylbenzenesulfonamide;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
SMILESCC(C)Cc1ccc(Cl)c(Cl)c1.CC(C)Cc1ccc(Cl)cc1Cl.CC(C)Cc1ccccc1Cl.CC(C)Nc1ccc(Cl)cc1.CC(C)c1cc(Cl)ccc1Cl.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(S(=O)(=O)N(C)C)cc1.CC(C)c1ccc(S(=O)(=O)N2CCCC2)cc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccccc1.CCOc1ccccc1CC(C)C.COc1ccc(C)cc1CC(C)C.COc1cccc(OC)c1NC(C)C
InChIInChI=1S/C13H19NO2S.2C12H18O.C11H17NO2S.C11H17NO2.2C10H12Cl2.C10H13Cl.C9H10Cl2.C9H12ClN.C9H11Cl.C9H11F.C9H13NO2S.C9H12/c1-11(2)12-5-7-13(8-6-12)17(15,16)14-9-3-4-10-14;1-9(2)7-11-8-10(3)5-6-12(11)13-4;1-4-13-12-8-6-5-7-11(12)9-10(2)3;1-9(2)10-5-7-11(8-6-10)15(13,14)12(3)4;1-8(2)12-11-9(13-3)6-5-7-10(11)14-4;1-7(2)5-8-3-4-9(11)6-10(8)12;1-7(2)5-8-3-4-9(11)10(12)6-8;1-8(2)7-9-5-3-4-6-10(9)11;1-6(2)8-5-7(10)3-4-9(8)11;1-7(2)11-9-5-3-8(10)4-6-9;2*1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-8(2)9-6-4-3-5-7-9/h5-8,11H,3-4,9-10H2,1-2H3;5-6,8-9H,7H2,1-4H3;5-8,10H,4,9H2,1-3H3;5-9H,1-4H3;5-8,12H,1-4H3;2*3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;3-6H,1-2H3;3-7,11H,1-2H3;2*3-7H,1-2H3;3-7H,1-2H3,(H2,10,11,12);3-8H,1-2H3
InChIKeyLYAZQSWNZNHXJS-UHFFFAOYSA-N
XLogP43.54
TPSA195.90 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds31
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002578.43
LogP ≤ 543.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 1-chloro-2-(2-methylpropyl)benzene;4-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-(2-methylpropyl)benzene;2,4-dichloro-1-(2-methylpropyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;2,6-dimethoxy-N-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;1-ethoxy-2-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-(2-methylpropyl)benzene;4-propan-2-ylbenzenesulfonamide;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine with MolForge

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Related Compounds

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1-[(2,4-dichlorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
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2-(3,4-dichlorophenyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
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N-[(4-chlorophenyl)methyl]-N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
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1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium
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CID 30126277
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CID 125088422
5-(azepan-1-ylsulfonyl)-N-[(2-ethoxyphenyl)methyl]-2-methoxybenzamide
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(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
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(5-fluoro-2-methoxyphenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
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CID 62162037

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-methylpropyl)benzene;4-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-(2-methylpropyl)benzene;2,4-dichloro-1-(2-methylpropyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;2,6-dimethoxy-N-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;1-ethoxy-2-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-(2-methylpropyl)benzene;4-propan-2-ylbenzenesulfonamide;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-chloro-2-(2-methylpropyl)benzene;4-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-(2-methylpropyl)benzene;2,4-dichloro-1-(2-methylpropyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;2,6-dimethoxy-N-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;1-ethoxy-2-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-(2-methylpropyl)benzene;4-propan-2-ylbenzenesulfonamide;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine (CID 159489884) is 1-chloro-2-(2-methylpropyl)benzene;4-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-(2-methylpropyl)benzene;2,4-dichloro-1-(2-methylpropyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;2,6-dimethoxy-N-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;1-ethoxy-2-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-(2-methylpropyl)benzene;4-propan-2-ylbenzenesulfonamide;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-chloro-2-(2-methylpropyl)benzene;4-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-(2-methylpropyl)benzene;2,4-dichloro-1-(2-methylpropyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;2,6-dimethoxy-N-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;1-ethoxy-2-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-(2-methylpropyl)benzene;4-propan-2-ylbenzenesulfonamide;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-chloro-2-(2-methylpropyl)benzene;4-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-(2-methylpropyl)benzene;2,4-dichloro-1-(2-methylpropyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;2,6-dimethoxy-N-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;1-ethoxy-2-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-(2-methylpropyl)benzene;4-propan-2-ylbenzenesulfonamide;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine is CC(C)Cc1ccc(Cl)c(Cl)c1.CC(C)Cc1ccc(Cl)cc1Cl.CC(C)Cc1ccccc1Cl.CC(C)Nc1ccc(Cl)cc1.CC(C)c1cc(Cl)ccc1Cl.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(S(=O)(=O)N(C)C)cc1.CC(C)c1ccc(S(=O)(=O)N2CCCC2)cc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccccc1.CCOc1ccccc1CC(C)C.COc1ccc(C)cc1CC(C)C.COc1cccc(OC)c1NC(C)C.
What is the InChIKey of 1-chloro-2-(2-methylpropyl)benzene;4-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-(2-methylpropyl)benzene;2,4-dichloro-1-(2-methylpropyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;2,6-dimethoxy-N-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;1-ethoxy-2-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-(2-methylpropyl)benzene;4-propan-2-ylbenzenesulfonamide;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine?
The InChIKey is LYAZQSWNZNHXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S.2C12H18O.C11H17NO2S.C11H17NO2.2C10H12Cl2.C10H13Cl.C9H10Cl2.C9H12ClN.C9H11Cl.C9H11F.C9H13NO2S.C9H12/c1-11(2)12-5-7-13(8-6-12)17(15,16)14-9-3-4-10-14;1-9(2)7-11-8-10(3)5-6-12(11)13-4;1-4-13-12-8-6-5-7-11(12)9-10(2)3;1-9(2)10-5-7-11(8-6-10)15(13,14)12(3)4;1-8(2)12-11-9(13-3)6-5-7-10(11)14-4;1-7(2)5-8-3-4-9(11)6-10(8)12;1-7(2)5-8-3-4-9(11)10(12)6-8;1-8(2)7-9-5-3-4-6-10(9)11;1-6(2)8-5-7(10)3-4-9(8)11;1-7(2)11-9-5-3-8(10)4-6-9;2*1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-8(2)9-6-4-3-5-7-9/h5-8,11H,3-4,9-10H2,1-2H3;5-6,8-9H,7H2,1-4H3;5-8,10H,4,9H2,1-3H3;5-9H,1-4H3;5-8,12H,1-4H3;2*3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;3-6H,1-2H3;3-7,11H,1-2H3;2*3-7H,1-2H3;3-7H,1-2H3,(H2,10,11,12);3-8H,1-2H3.
What are the key properties of 1-chloro-2-(2-methylpropyl)benzene;4-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-(2-methylpropyl)benzene;2,4-dichloro-1-(2-methylpropyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;2,6-dimethoxy-N-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;1-ethoxy-2-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-(2-methylpropyl)benzene;4-propan-2-ylbenzenesulfonamide;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine?
1-chloro-2-(2-methylpropyl)benzene;4-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-(2-methylpropyl)benzene;2,4-dichloro-1-(2-methylpropyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;2,6-dimethoxy-N-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;1-ethoxy-2-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-(2-methylpropyl)benzene;4-propan-2-ylbenzenesulfonamide;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine has a molecular weight of 2578.43 g/mol, XLogP of 43.54, 31 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-methylpropyl)benzene;4-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-(2-methylpropyl)benzene;2,4-dichloro-1-(2-methylpropyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;2,6-dimethoxy-N-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;1-ethoxy-2-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-(2-methylpropyl)benzene;4-propan-2-ylbenzenesulfonamide;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 159489884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).