(3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine

C14H14ClNO2S — CID 115811597

IUPAC(3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1cccc(C(N)c2cccc(Cl)c2)c1
InChIInChI=1S/C14H14ClNO2S/c1-19(17,18)13-7-3-5-11(9-13)14(16)10-4-2-6-12(15)8-10/h2-9,14H,16H2,1H3
InChIKeyXVIUXGLCDCCJPQ-UHFFFAOYSA-N
MW295.79 g/mol
LogP2.79
Rot. Bonds3

About (3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine

(3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine (PubChem CID 115811597) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is (3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine
PubChem CID115811597
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name(3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1cccc(C(N)c2cccc(Cl)c2)c1
InChIInChI=1S/C14H14ClNO2S/c1-19(17,18)13-7-3-5-11(9-13)14(16)10-4-2-6-12(15)8-10/h2-9,14H,16H2,1H3
InChIKeyXVIUXGLCDCCJPQ-UHFFFAOYSA-N
XLogP2.79
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4,5-difluorophenyl)-(3-methylsulfonylphenyl)methanamine
CID 107475895
(3-methylsulfonylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 43110476
(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine
CID 115811895
(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride
CID 127264657
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
(1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344134
(4-chlorophenyl)-(3-methylsulfonylphenyl)methanol
CID 61101064
(S)-(2,4-dimethylphenyl)-(3-methylsulfonylphenyl)methanamine
CID 28500829
(R)-(2,4-dimethylphenyl)-(3-methylsulfonylphenyl)methanamine
CID 28500831
1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine
CID 102550992
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylsulfonylphenyl)methanamine
CID 105041737
[(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methyl]hydrazine
CID 105301936

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine?
The IUPAC name of (3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine (CID 115811597) is (3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine?
The canonical SMILES for (3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine is CS(=O)(=O)c1cccc(C(N)c2cccc(Cl)c2)c1.
What is the InChIKey of (3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine?
The InChIKey is XVIUXGLCDCCJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-19(17,18)13-7-3-5-11(9-13)14(16)10-4-2-6-12(15)8-10/h2-9,14H,16H2,1H3.
What are the key properties of (3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine?
(3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine has a molecular weight of 295.79 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 115811597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).