methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)

C29H33NO4S2 — CID 23341933

IUPACmethanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
SMILESCN.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/2C14H14O2S.CH5N/c2*1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-2/h2*3-10H,1-2H3;2H2,1H3
InChIKeyFIABKDSBQFDGFT-UHFFFAOYSA-N
MW523.72 g/mol
LogP5.85
Rot. Bonds4

About methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)

methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene) (PubChem CID 23341933) has the molecular formula C29H33NO4S2 and a molecular weight of 523.72 g/mol. Its IUPAC name is methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene).

Molecular Properties

Compound Namemethanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
PubChem CID23341933
Molecular FormulaC29H33NO4S2
Molecular Weight523.72 g/mol
Exact Mass523.19
IUPAC Namemethanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
SMILESCN.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/2C14H14O2S.CH5N/c2*1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-2/h2*3-10H,1-2H3;2H2,1H3
InChIKeyFIABKDSBQFDGFT-UHFFFAOYSA-N
XLogP5.85
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.72
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene
CID 10972270
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
CID 12648459
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
4-[4-(4-methylphenyl)sulfonylphenoxy]aniline
CID 6611791

Frequently Asked Questions

What is the IUPAC name of methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)?
The IUPAC name of methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene) (CID 23341933) is methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene).
What is the SMILES notation for methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)?
The canonical SMILES for methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene) is CN.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)?
The InChIKey is FIABKDSBQFDGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14O2S.CH5N/c2*1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-2/h2*3-10H,1-2H3;2H2,1H3.
What are the key properties of methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)?
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene) has a molecular weight of 523.72 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene) is sourced from PubChem (CID 23341933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).