5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline

C14H20ClNO3S — CID 65046198

IUPAC5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline
SMILESCCOc1ccc(Cl)cc1NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C14H20ClNO3S/c1-3-19-13-8-7-10(15)9-12(13)16-11-5-4-6-14(11)20(2,17)18/h7-9,11,14,16H,3-6H2,1-2H3
InChIKeyGNNSSKCXFDOFPP-UHFFFAOYSA-N
MW317.84 g/mol
LogP3.12
Rot. Bonds5

About 5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline

5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline (PubChem CID 65046198) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline
PubChem CID65046198
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline
SMILESCCOc1ccc(Cl)cc1NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C14H20ClNO3S/c1-3-19-13-8-7-10(15)9-12(13)16-11-5-4-6-14(11)20(2,17)18/h7-9,11,14,16H,3-6H2,1-2H3
InChIKeyGNNSSKCXFDOFPP-UHFFFAOYSA-N
XLogP3.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline
CID 65044191
N-(5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 55191401
2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine
CID 65044228
N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364394
N-(5-chloro-2-ethoxyphenyl)oxan-4-amine
CID 54865465
2-chloro-4-iodo-N-(2-methylsulfonylcyclopentyl)aniline
CID 65044044
trans-(1R,2R)-N-[(4-ethoxy-3-methylphenyl)methyl]-2-methylsulfonylcyclohexan-1-amine
CID 97334058
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 40793418
5-chloro-N-(dicyclopropylmethyl)-2-ethoxyaniline
CID 54865533
N-(5-chloro-2-ethoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54862706
5-chloro-N-(3-methylcyclohexyl)-2-propoxyaniline
CID 63452896

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline?
The IUPAC name of 5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline (CID 65046198) is 5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline.
What is the SMILES notation for 5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline?
The canonical SMILES for 5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline is CCOc1ccc(Cl)cc1NC1CCCC1S(C)(=O)=O.
What is the InChIKey of 5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline?
The InChIKey is GNNSSKCXFDOFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-3-19-13-8-7-10(15)9-12(13)16-11-5-4-6-14(11)20(2,17)18/h7-9,11,14,16H,3-6H2,1-2H3.
What are the key properties of 5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline?
5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline has a molecular weight of 317.84 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline is sourced from PubChem (CID 65046198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).