2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine

C14H19ClFNO2S — CID 79581885

IUPAC2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1CCS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H19ClFNO2S/c1-17-14-4-2-3-10(14)7-8-20(18,19)11-5-6-13(16)12(15)9-11/h5-6,9-10,14,17H,2-4,7-8H2,1H3
InChIKeyUVDQTCLVWAOXAP-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.03
Rot. Bonds5

About 2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine

2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine (PubChem CID 79581885) has the molecular formula C14H19ClFNO2S and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine
PubChem CID79581885
Molecular FormulaC14H19ClFNO2S
Molecular Weight319.83 g/mol
Exact Mass319.08
IUPAC Name2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1CCS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H19ClFNO2S/c1-17-14-4-2-3-10(14)7-8-20(18,19)11-5-6-13(16)12(15)9-11/h5-6,9-10,14,17H,2-4,7-8H2,1H3
InChIKeyUVDQTCLVWAOXAP-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
CID 79587194
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836042
2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103047204
2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64676122
2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine
CID 79581114
2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine
CID 79581110
6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine
CID 79833106
2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64674143
4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine
CID 64676319
N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581109
4-(2-azidoethylsulfonyl)-2-chloro-1-fluorobenzene
CID 61396929
8-(3-chloro-4-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 161172745

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine (CID 79581885) is 2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine is CNC1CCCC1CCS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine?
The InChIKey is UVDQTCLVWAOXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2S/c1-17-14-4-2-3-10(14)7-8-20(18,19)11-5-6-13(16)12(15)9-11/h5-6,9-10,14,17H,2-4,7-8H2,1H3.
What are the key properties of 2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine?
2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine has a molecular weight of 319.83 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 79581885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).