2-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-2-amine

C11H16ClNO2S — CID 117036804

IUPAC2-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-2-amine
SMILESCNC(C)(C)S(=O)(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C11H16ClNO2S/c1-8-7-9(5-6-10(8)12)16(14,15)11(2,3)13-4/h5-7,13H,1-4H3
InChIKeyBXEXXYICDDZLMK-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.38
Rot. Bonds3

About 2-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-2-amine

2-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-2-amine (PubChem CID 117036804) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-2-amine
PubChem CID117036804
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name2-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-2-amine
SMILESCNC(C)(C)S(=O)(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C11H16ClNO2S/c1-8-7-9(5-6-10(8)12)16(14,15)11(2,3)13-4/h5-7,13H,1-4H3
InChIKeyBXEXXYICDDZLMK-UHFFFAOYSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-2-amine?
The IUPAC name of 2-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-2-amine (CID 117036804) is 2-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-2-amine.
What is the SMILES notation for 2-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-2-amine?
The canonical SMILES for 2-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-2-amine is CNC(C)(C)S(=O)(=O)c1ccc(Cl)c(C)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-2-amine?
The InChIKey is BXEXXYICDDZLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-8-7-9(5-6-10(8)12)16(14,15)11(2,3)13-4/h5-7,13H,1-4H3.
What are the key properties of 2-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-2-amine?
2-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-2-amine has a molecular weight of 261.77 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-2-amine is sourced from PubChem (CID 117036804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).