3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine

C11H16ClNO3S — CID 64697562

IUPAC3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO3S/c1-2-16-10(7-13)8-17(14,15)11-5-3-9(12)4-6-11/h3-6,10H,2,7-8,13H2,1H3
InChIKeyMPODIXJTTIOORB-UHFFFAOYSA-N
MW277.77 g/mol
LogP1.48
Rot. Bonds6

About 3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine

3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine (PubChem CID 64697562) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine
PubChem CID64697562
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO3S/c1-2-16-10(7-13)8-17(14,15)11-5-3-9(12)4-6-11/h3-6,10H,2,7-8,13H2,1H3
InChIKeyMPODIXJTTIOORB-UHFFFAOYSA-N
XLogP1.48
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine
CID 64697398
ethyl 3-(4-chlorophenyl)sulfonyl-2-hydroxypropanoate
CID 22086033
2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine
CID 64697179
4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine
CID 64696960
1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol
CID 106584897
3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine
CID 63069685
(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol
CID 131862935
4-(4-chlorophenoxy)-2-ethoxybutan-1-amine
CID 63071445
3-[(4-chlorophenyl)methylsulfinyl]-2-ethoxypropan-1-amine
CID 114792883
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide
CID 120588902
2-ethoxy-3-(4-methylsulfonylphenyl)sulfinylpropan-1-amine
CID 81333630
2,2-diethoxyethylsulfonylbenzene
CID 11436831

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine (CID 64697562) is 3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine is CCOC(CN)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine?
The InChIKey is MPODIXJTTIOORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-2-16-10(7-13)8-17(14,15)11-5-3-9(12)4-6-11/h3-6,10H,2,7-8,13H2,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine?
3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine has a molecular weight of 277.77 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine is sourced from PubChem (CID 64697562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).