3-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-N-propylcyclopentan-1-amine

C15H21ClFNO2S — CID 64905107

IUPAC3-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(S(=O)(=O)c2ccc(F)c(Cl)c2)C1C
InChIInChI=1S/C15H21ClFNO2S/c1-3-8-18-14-6-7-15(10(14)2)21(19,20)11-4-5-13(17)12(16)9-11/h4-5,9-10,14-15,18H,3,6-8H2,1-2H3
InChIKeyRPFCCCDTCLLMHD-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.42
Rot. Bonds5

About 3-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-N-propylcyclopentan-1-amine

3-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-N-propylcyclopentan-1-amine (PubChem CID 64905107) has the molecular formula C15H21ClFNO2S and a molecular weight of 333.86 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-N-propylcyclopentan-1-amine
PubChem CID64905107
Molecular FormulaC15H21ClFNO2S
Molecular Weight333.86 g/mol
Exact Mass333.10
IUPAC Name3-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(S(=O)(=O)c2ccc(F)c(Cl)c2)C1C
InChIInChI=1S/C15H21ClFNO2S/c1-3-8-18-14-6-7-15(10(14)2)21(19,20)11-4-5-13(17)12(16)9-11/h4-5,9-10,14-15,18H,3,6-8H2,1-2H3
InChIKeyRPFCCCDTCLLMHD-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 3-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-N-propylcyclopentan-1-amine (CID 64905107) is 3-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(S(=O)(=O)c2ccc(F)c(Cl)c2)C1C.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-N-propylcyclopentan-1-amine?
The InChIKey is RPFCCCDTCLLMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO2S/c1-3-8-18-14-6-7-15(10(14)2)21(19,20)11-4-5-13(17)12(16)9-11/h4-5,9-10,14-15,18H,3,6-8H2,1-2H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-N-propylcyclopentan-1-amine?
3-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-N-propylcyclopentan-1-amine has a molecular weight of 333.86 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64905107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).