5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine

C14H21F2NO2S — CID 64645664

IUPAC5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine
SMILESCCCNC(C)CCCS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H21F2NO2S/c1-3-8-17-11(2)5-4-9-20(18,19)12-6-7-13(15)14(16)10-12/h6-7,10-11,17H,3-5,8-9H2,1-2H3
InChIKeyVBUICTBRMBVRKN-UHFFFAOYSA-N
MW305.39 g/mol
LogP2.91
Rot. Bonds8

About 5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine

5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine (PubChem CID 64645664) has the molecular formula C14H21F2NO2S and a molecular weight of 305.39 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine
PubChem CID64645664
Molecular FormulaC14H21F2NO2S
Molecular Weight305.39 g/mol
Exact Mass305.13
IUPAC Name5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine
SMILESCCCNC(C)CCCS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H21F2NO2S/c1-3-8-17-11(2)5-4-9-20(18,19)12-6-7-13(15)14(16)10-12/h6-7,10-11,17H,3-5,8-9H2,1-2H3
InChIKeyVBUICTBRMBVRKN-UHFFFAOYSA-N
XLogP2.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine?
The IUPAC name of 5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine (CID 64645664) is 5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine is CCCNC(C)CCCS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine?
The InChIKey is VBUICTBRMBVRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2S/c1-3-8-17-11(2)5-4-9-20(18,19)12-6-7-13(15)14(16)10-12/h6-7,10-11,17H,3-5,8-9H2,1-2H3.
What are the key properties of 5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine?
5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine has a molecular weight of 305.39 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine is sourced from PubChem (CID 64645664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).