2-(benzenesulfonyl)-5-methylthiophene;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;2-methyl-4-(5-methylthiophen-2-yl)pyrimidine;1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;2-methyl-5-phenylthiophene;3-(5-methylthiophen-2-yl)aniline;2-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)-2H-pyrrole;2-methyl-5-thiophen-2-ylthiophene;bis(1,4-xylene)

C118H122F3N7O2S11 — CID 159073031

IUPAC2-(benzenesulfonyl)-5-methylthiophene;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;2-methyl-4-(5-methylthiophen-2-yl)pyrimidine;1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;2-methyl-5-phenylthiophene;3-(5-methylthiophen-2-yl)aniline;2-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)-2H-pyrrole;2-methyl-5-thiophen-2-ylthiophene;bis(1,4-xylene)
SMILESC.Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2cccc(N)c2)s1.Cc1ccc(-c2ccccc2)s1.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2cccs2)s1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)s1.Cc1ccc(C2=NCC=C2)s1.Cc1ccc(S(=O)(=O)c2ccccc2)s1.Cc1nccc(-c2ccc(C)s2)n1
InChIInChI=1S/C14H14.C11H11NS.C11H10O2S2.C11H10S.C10H9F3N2S.C10H10N2S.C10H9NS.C9H9NS.C9H8S2.2C8H10.C6H8S.CH4/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-8-5-6-11(13-8)9-3-2-4-10(12)7-9;1-9-7-8-11(14-9)15(12,13)10-5-3-2-4-6-10;1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-6-3-4-8(16-6)7-5-9(10(11,12)13)15(2)14-7;1-7-3-4-10(13-7)9-5-6-11-8(2)12-9;1-8-5-6-10(12-8)9-4-2-3-7-11-9;2*1-7-4-5-9(11-7)8-3-2-6-10-8;2*1-7-3-5-8(2)6-4-7;1-5-3-4-6(2)7-5;/h3-10H,1-2H3;2-7H,12H2,1H3;2-8H,1H3;2-8H,1H3;3-5H,1-2H3;3-6H,1-2H3;2-7H,1H3;2-5H,6H2,1H3;2-6H,1H3;2*3-6H,1-2H3;3-4H,1-2H3;1H4
InChIKeyJZXDDNKPDRURQP-UHFFFAOYSA-N
MW2080.05 g/mol
LogP37.11
Rot. Bonds10

About 2-(benzenesulfonyl)-5-methylthiophene;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;2-methyl-4-(5-methylthiophen-2-yl)pyrimidine;1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;2-methyl-5-phenylthiophene;3-(5-methylthiophen-2-yl)aniline;2-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)-2H-pyrrole;2-methyl-5-thiophen-2-ylthiophene;bis(1,4-xylene)

2-(benzenesulfonyl)-5-methylthiophene;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;2-methyl-4-(5-methylthiophen-2-yl)pyrimidine;1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;2-methyl-5-phenylthiophene;3-(5-methylthiophen-2-yl)aniline;2-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)-2H-pyrrole;2-methyl-5-thiophen-2-ylthiophene;bis(1,4-xylene) (PubChem CID 159073031) has the molecular formula C118H122F3N7O2S11 and a molecular weight of 2080.05 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-methylthiophene;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;2-methyl-4-(5-methylthiophen-2-yl)pyrimidine;1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;2-methyl-5-phenylthiophene;3-(5-methylthiophen-2-yl)aniline;2-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)-2H-pyrrole;2-methyl-5-thiophen-2-ylthiophene;bis(1,4-xylene).

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-methylthiophene;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;2-methyl-4-(5-methylthiophen-2-yl)pyrimidine;1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;2-methyl-5-phenylthiophene;3-(5-methylthiophen-2-yl)aniline;2-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)-2H-pyrrole;2-methyl-5-thiophen-2-ylthiophene;bis(1,4-xylene)
PubChem CID159073031
Molecular FormulaC118H122F3N7O2S11
Molecular Weight2080.05 g/mol
Exact Mass2077.65
IUPAC Name2-(benzenesulfonyl)-5-methylthiophene;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;2-methyl-4-(5-methylthiophen-2-yl)pyrimidine;1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;2-methyl-5-phenylthiophene;3-(5-methylthiophen-2-yl)aniline;2-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)-2H-pyrrole;2-methyl-5-thiophen-2-ylthiophene;bis(1,4-xylene)
SMILESC.Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2cccc(N)c2)s1.Cc1ccc(-c2ccccc2)s1.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2cccs2)s1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)s1.Cc1ccc(C2=NCC=C2)s1.Cc1ccc(S(=O)(=O)c2ccccc2)s1.Cc1nccc(-c2ccc(C)s2)n1
InChIInChI=1S/C14H14.C11H11NS.C11H10O2S2.C11H10S.C10H9F3N2S.C10H10N2S.C10H9NS.C9H9NS.C9H8S2.2C8H10.C6H8S.CH4/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-8-5-6-11(13-8)9-3-2-4-10(12)7-9;1-9-7-8-11(14-9)15(12,13)10-5-3-2-4-6-10;1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-6-3-4-8(16-6)7-5-9(10(11,12)13)15(2)14-7;1-7-3-4-10(13-7)9-5-6-11-8(2)12-9;1-8-5-6-10(12-8)9-4-2-3-7-11-9;2*1-7-4-5-9(11-7)8-3-2-6-10-8;2*1-7-3-5-8(2)6-4-7;1-5-3-4-6(2)7-5;/h3-10H,1-2H3;2-7H,12H2,1H3;2-8H,1H3;2-8H,1H3;3-5H,1-2H3;3-6H,1-2H3;2-7H,1H3;2-5H,6H2,1H3;2-6H,1H3;2*3-6H,1-2H3;3-4H,1-2H3;1H4
InChIKeyJZXDDNKPDRURQP-UHFFFAOYSA-N
XLogP37.11
TPSA129.01 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002080.05
LogP ≤ 537.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-(benzenesulfonyl)-5-methylthiophene;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;2-methyl-4-(5-methylthiophen-2-yl)pyrimidine;1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;2-methyl-5-phenylthiophene;3-(5-methylthiophen-2-yl)aniline;2-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)-2H-pyrrole;2-methyl-5-thiophen-2-ylthiophene;bis(1,4-xylene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-methylthiophene;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;2-methyl-4-(5-methylthiophen-2-yl)pyrimidine;1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;2-methyl-5-phenylthiophene;3-(5-methylthiophen-2-yl)aniline;2-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)-2H-pyrrole;2-methyl-5-thiophen-2-ylthiophene;bis(1,4-xylene)?
The IUPAC name of 2-(benzenesulfonyl)-5-methylthiophene;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;2-methyl-4-(5-methylthiophen-2-yl)pyrimidine;1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;2-methyl-5-phenylthiophene;3-(5-methylthiophen-2-yl)aniline;2-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)-2H-pyrrole;2-methyl-5-thiophen-2-ylthiophene;bis(1,4-xylene) (CID 159073031) is 2-(benzenesulfonyl)-5-methylthiophene;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;2-methyl-4-(5-methylthiophen-2-yl)pyrimidine;1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;2-methyl-5-phenylthiophene;3-(5-methylthiophen-2-yl)aniline;2-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)-2H-pyrrole;2-methyl-5-thiophen-2-ylthiophene;bis(1,4-xylene).
What is the SMILES notation for 2-(benzenesulfonyl)-5-methylthiophene;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;2-methyl-4-(5-methylthiophen-2-yl)pyrimidine;1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;2-methyl-5-phenylthiophene;3-(5-methylthiophen-2-yl)aniline;2-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)-2H-pyrrole;2-methyl-5-thiophen-2-ylthiophene;bis(1,4-xylene)?
The canonical SMILES for 2-(benzenesulfonyl)-5-methylthiophene;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;2-methyl-4-(5-methylthiophen-2-yl)pyrimidine;1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;2-methyl-5-phenylthiophene;3-(5-methylthiophen-2-yl)aniline;2-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)-2H-pyrrole;2-methyl-5-thiophen-2-ylthiophene;bis(1,4-xylene) is C.Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2cccc(N)c2)s1.Cc1ccc(-c2ccccc2)s1.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2cccs2)s1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)s1.Cc1ccc(C2=NCC=C2)s1.Cc1ccc(S(=O)(=O)c2ccccc2)s1.Cc1nccc(-c2ccc(C)s2)n1.
What is the InChIKey of 2-(benzenesulfonyl)-5-methylthiophene;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;2-methyl-4-(5-methylthiophen-2-yl)pyrimidine;1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;2-methyl-5-phenylthiophene;3-(5-methylthiophen-2-yl)aniline;2-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)-2H-pyrrole;2-methyl-5-thiophen-2-ylthiophene;bis(1,4-xylene)?
The InChIKey is JZXDDNKPDRURQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C11H11NS.C11H10O2S2.C11H10S.C10H9F3N2S.C10H10N2S.C10H9NS.C9H9NS.C9H8S2.2C8H10.C6H8S.CH4/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-8-5-6-11(13-8)9-3-2-4-10(12)7-9;1-9-7-8-11(14-9)15(12,13)10-5-3-2-4-6-10;1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-6-3-4-8(16-6)7-5-9(10(11,12)13)15(2)14-7;1-7-3-4-10(13-7)9-5-6-11-8(2)12-9;1-8-5-6-10(12-8)9-4-2-3-7-11-9;2*1-7-4-5-9(11-7)8-3-2-6-10-8;2*1-7-3-5-8(2)6-4-7;1-5-3-4-6(2)7-5;/h3-10H,1-2H3;2-7H,12H2,1H3;2-8H,1H3;2-8H,1H3;3-5H,1-2H3;3-6H,1-2H3;2-7H,1H3;2-5H,6H2,1H3;2-6H,1H3;2*3-6H,1-2H3;3-4H,1-2H3;1H4.
What are the key properties of 2-(benzenesulfonyl)-5-methylthiophene;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;2-methyl-4-(5-methylthiophen-2-yl)pyrimidine;1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;2-methyl-5-phenylthiophene;3-(5-methylthiophen-2-yl)aniline;2-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)-2H-pyrrole;2-methyl-5-thiophen-2-ylthiophene;bis(1,4-xylene)?
2-(benzenesulfonyl)-5-methylthiophene;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;2-methyl-4-(5-methylthiophen-2-yl)pyrimidine;1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;2-methyl-5-phenylthiophene;3-(5-methylthiophen-2-yl)aniline;2-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)-2H-pyrrole;2-methyl-5-thiophen-2-ylthiophene;bis(1,4-xylene) has a molecular weight of 2080.05 g/mol, XLogP of 37.11, 10 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-methylthiophene;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;2-methyl-4-(5-methylthiophen-2-yl)pyrimidine;1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;2-methyl-5-phenylthiophene;3-(5-methylthiophen-2-yl)aniline;2-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)-2H-pyrrole;2-methyl-5-thiophen-2-ylthiophene;bis(1,4-xylene) is sourced from PubChem (CID 159073031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).