N'-[2-(4-chlorophenyl)sulfonylethyl]-N',2,2-trimethylpropane-1,3-diamine

C14H23ClN2O2S — CID 79652731

IUPACN'-[2-(4-chlorophenyl)sulfonylethyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(CCS(=O)(=O)c1ccc(Cl)cc1)CC(C)(C)CN
InChIInChI=1S/C14H23ClN2O2S/c1-14(2,10-16)11-17(3)8-9-20(18,19)13-6-4-12(15)5-7-13/h4-7H,8-11,16H2,1-3H3
InChIKeyCVRJZRSEYZOYLU-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.03
Rot. Bonds7

About N'-[2-(4-chlorophenyl)sulfonylethyl]-N',2,2-trimethylpropane-1,3-diamine

N'-[2-(4-chlorophenyl)sulfonylethyl]-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 79652731) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)sulfonylethyl]-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)sulfonylethyl]-N',2,2-trimethylpropane-1,3-diamine
PubChem CID79652731
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC NameN'-[2-(4-chlorophenyl)sulfonylethyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(CCS(=O)(=O)c1ccc(Cl)cc1)CC(C)(C)CN
InChIInChI=1S/C14H23ClN2O2S/c1-14(2,10-16)11-17(3)8-9-20(18,19)13-6-4-12(15)5-7-13/h4-7H,8-11,16H2,1-3H3
InChIKeyCVRJZRSEYZOYLU-UHFFFAOYSA-N
XLogP2.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)sulfonylethyl]-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(4-chlorophenyl)sulfonylethyl]-N',2,2-trimethylpropane-1,3-diamine (CID 79652731) is N'-[2-(4-chlorophenyl)sulfonylethyl]-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(4-chlorophenyl)sulfonylethyl]-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(4-chlorophenyl)sulfonylethyl]-N',2,2-trimethylpropane-1,3-diamine is CN(CCS(=O)(=O)c1ccc(Cl)cc1)CC(C)(C)CN.
What is the InChIKey of N'-[2-(4-chlorophenyl)sulfonylethyl]-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is CVRJZRSEYZOYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2S/c1-14(2,10-16)11-17(3)8-9-20(18,19)13-6-4-12(15)5-7-13/h4-7H,8-11,16H2,1-3H3.
What are the key properties of N'-[2-(4-chlorophenyl)sulfonylethyl]-N',2,2-trimethylpropane-1,3-diamine?
N'-[2-(4-chlorophenyl)sulfonylethyl]-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 318.87 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)sulfonylethyl]-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79652731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).