5-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyl-2,2-dimethylcyclopentan-1-amine

C15H21ClFNO2S — CID 79866194

IUPAC5-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(S(=O)(=O)c2ccc(F)c(Cl)c2)CCC1(C)C
InChIInChI=1S/C15H21ClFNO2S/c1-4-18-14-13(7-8-15(14,2)3)21(19,20)10-5-6-12(17)11(16)9-10/h5-6,9,13-14,18H,4,7-8H2,1-3H3
InChIKeyLSNFIGTXKWXGFV-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.42
Rot. Bonds4

About 5-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyl-2,2-dimethylcyclopentan-1-amine

5-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyl-2,2-dimethylcyclopentan-1-amine (PubChem CID 79866194) has the molecular formula C15H21ClFNO2S and a molecular weight of 333.86 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyl-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
PubChem CID79866194
Molecular FormulaC15H21ClFNO2S
Molecular Weight333.86 g/mol
Exact Mass333.10
IUPAC Name5-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(S(=O)(=O)c2ccc(F)c(Cl)c2)CCC1(C)C
InChIInChI=1S/C15H21ClFNO2S/c1-4-18-14-13(7-8-15(14,2)3)21(19,20)10-5-6-12(17)11(16)9-10/h5-6,9,13-14,18H,4,7-8H2,1-3H3
InChIKeyLSNFIGTXKWXGFV-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyl-2,2-dimethylcyclopentan-1-amine (CID 79866194) is 5-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyl-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyl-2,2-dimethylcyclopentan-1-amine is CCNC1C(S(=O)(=O)c2ccc(F)c(Cl)c2)CCC1(C)C.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The InChIKey is LSNFIGTXKWXGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO2S/c1-4-18-14-13(7-8-15(14,2)3)21(19,20)10-5-6-12(17)11(16)9-10/h5-6,9,13-14,18H,4,7-8H2,1-3H3.
What are the key properties of 5-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyl-2,2-dimethylcyclopentan-1-amine?
5-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyl-2,2-dimethylcyclopentan-1-amine has a molecular weight of 333.86 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyl-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79866194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).