(4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine

C12H11Br2NO2S2 — CID 80533218

IUPAC(4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1ccc(C(N)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C12H11Br2NO2S2/c1-19(16,17)8-4-2-7(3-5-8)11(15)10-6-9(13)12(14)18-10/h2-6,11H,15H2,1H3
InChIKeyDRMFVCSKSUPEBE-UHFFFAOYSA-N
MW425.17 g/mol
LogP3.72
Rot. Bonds3

About (4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine

(4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine (PubChem CID 80533218) has the molecular formula C12H11Br2NO2S2 and a molecular weight of 425.17 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine
PubChem CID80533218
Molecular FormulaC12H11Br2NO2S2
Molecular Weight425.17 g/mol
Exact Mass422.86
IUPAC Name(4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1ccc(C(N)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C12H11Br2NO2S2/c1-19(16,17)8-4-2-7(3-5-8)11(15)10-6-9(13)12(14)18-10/h2-6,11H,15H2,1H3
InChIKeyDRMFVCSKSUPEBE-UHFFFAOYSA-N
XLogP3.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.17
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine
CID 80532992
(4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 43198043
(3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 103220480
(4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 24689230
(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 80532994
(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055149
(3-bromo-2-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 106647644
1-(4,5-dibromothiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 80532967
2,5-dibromo-3-[bromo-(4-methylsulfonylphenyl)methyl]thiophene
CID 61098377
5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 80536215
(2,5-dibromothiophen-3-yl)-(4-methylsulfonylphenyl)methanol
CID 61082622
(4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine
CID 102827146

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine (CID 80533218) is (4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine is CS(=O)(=O)c1ccc(C(N)c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine?
The InChIKey is DRMFVCSKSUPEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO2S2/c1-19(16,17)8-4-2-7(3-5-8)11(15)10-6-9(13)12(14)18-10/h2-6,11H,15H2,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine?
(4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine has a molecular weight of 425.17 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 80533218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).