2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine

C10H14ClNO2S — CID 117372590

IUPAC2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C10H14ClNO2S/c1-10(2,12)7-4-5-9(8(11)6-7)15(3,13)14/h4-6H,12H2,1-3H3
InChIKeyFSPWGHFFDORRBY-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.94
Rot. Bonds2

About 2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine

2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine (PubChem CID 117372590) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine
PubChem CID117372590
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C10H14ClNO2S/c1-10(2,12)7-4-5-9(8(11)6-7)15(3,13)14/h4-6H,12H2,1-3H3
InChIKeyFSPWGHFFDORRBY-UHFFFAOYSA-N
XLogP1.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine?
The IUPAC name of 2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine (CID 117372590) is 2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine?
The canonical SMILES for 2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine is CC(C)(N)c1ccc(S(C)(=O)=O)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine?
The InChIKey is FSPWGHFFDORRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-10(2,12)7-4-5-9(8(11)6-7)15(3,13)14/h4-6H,12H2,1-3H3.
What are the key properties of 2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine?
2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine has a molecular weight of 247.75 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine is sourced from PubChem (CID 117372590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).