(5-chlorothiophen-2-yl)-(3-methylsulfonylphenyl)methanamine

C12H12ClNO2S2 — CID 43114593

IUPAC(5-chlorothiophen-2-yl)-(3-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1cccc(C(N)c2ccc(Cl)s2)c1
InChIInChI=1S/C12H12ClNO2S2/c1-18(15,16)9-4-2-3-8(7-9)12(14)10-5-6-11(13)17-10/h2-7,12H,14H2,1H3
InChIKeyHJSIOUYWUVETFN-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.85
Rot. Bonds3

About (5-chlorothiophen-2-yl)-(3-methylsulfonylphenyl)methanamine

(5-chlorothiophen-2-yl)-(3-methylsulfonylphenyl)methanamine (PubChem CID 43114593) has the molecular formula C12H12ClNO2S2 and a molecular weight of 301.82 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(3-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(3-methylsulfonylphenyl)methanamine
PubChem CID43114593
Molecular FormulaC12H12ClNO2S2
Molecular Weight301.82 g/mol
Exact Mass301.00
IUPAC Name(5-chlorothiophen-2-yl)-(3-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1cccc(C(N)c2ccc(Cl)s2)c1
InChIInChI=1S/C12H12ClNO2S2/c1-18(15,16)9-4-2-3-8(7-9)12(14)10-5-6-11(13)17-10/h2-7,12H,14H2,1H3
InChIKeyHJSIOUYWUVETFN-UHFFFAOYSA-N
XLogP2.85
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(3-methylsulfonylphenyl)methanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-(3-methylsulfonylphenyl)methanamine (CID 43114593) is (5-chlorothiophen-2-yl)-(3-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(3-methylsulfonylphenyl)methanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-(3-methylsulfonylphenyl)methanamine is CS(=O)(=O)c1cccc(C(N)c2ccc(Cl)s2)c1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(3-methylsulfonylphenyl)methanamine?
The InChIKey is HJSIOUYWUVETFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S2/c1-18(15,16)9-4-2-3-8(7-9)12(14)10-5-6-11(13)17-10/h2-7,12H,14H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(3-methylsulfonylphenyl)methanamine?
(5-chlorothiophen-2-yl)-(3-methylsulfonylphenyl)methanamine has a molecular weight of 301.82 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(3-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 43114593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).