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

C14H21F2NO2S — CID 64673944

IUPAC5-(2,5-difluorophenyl)sulfonyl-N-propylpentan-2-amine
SMILESCCCNC(C)CCCS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H21F2NO2S/c1-3-8-17-11(2)5-4-9-20(18,19)14-10-12(15)6-7-13(14)16/h6-7,10-11,17H,3-5,8-9H2,1-2H3
InChIKeyOKCQZMBFMJQILO-UHFFFAOYSA-N
MW305.39 g/mol
LogP2.91
Rot. Bonds8

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

5-(2,5-difluorophenyl)sulfonyl-N-propylpentan-2-amine (PubChem CID 64673944) has the molecular formula C14H21F2NO2S and a molecular weight of 305.39 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)sulfonyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)sulfonyl-N-propylpentan-2-amine
PubChem CID64673944
Molecular FormulaC14H21F2NO2S
Molecular Weight305.39 g/mol
Exact Mass305.13
IUPAC Name5-(2,5-difluorophenyl)sulfonyl-N-propylpentan-2-amine
SMILESCCCNC(C)CCCS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H21F2NO2S/c1-3-8-17-11(2)5-4-9-20(18,19)14-10-12(15)6-7-13(14)16/h6-7,10-11,17H,3-5,8-9H2,1-2H3
InChIKeyOKCQZMBFMJQILO-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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Related Compounds

5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine
CID 64645664
1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine
CID 64644856
5-(benzenesulfonyl)-N-propylpentan-2-amine
CID 62916866
4-(2,5-difluorophenyl)sulfonylbutan-1-amine
CID 64697007
6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine
CID 64644461
1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine
CID 64647520
4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine
CID 64649454
N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 115726286
2-(6-chlorohexylsulfonyl)-1,4-difluorobenzene
CID 62227813
1-(2,5-difluorophenyl)sulfonylpentan-2-amine
CID 64647514
N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
CID 65032947
4-fluoro-2-(4-methylpentylsulfonyl)aniline
CID 83163308

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)sulfonyl-N-propylpentan-2-amine?
The IUPAC name of 5-(2,5-difluorophenyl)sulfonyl-N-propylpentan-2-amine (CID 64673944) is 5-(2,5-difluorophenyl)sulfonyl-N-propylpentan-2-amine.
What is the SMILES notation for 5-(2,5-difluorophenyl)sulfonyl-N-propylpentan-2-amine?
The canonical SMILES for 5-(2,5-difluorophenyl)sulfonyl-N-propylpentan-2-amine is CCCNC(C)CCCS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 5-(2,5-difluorophenyl)sulfonyl-N-propylpentan-2-amine?
The InChIKey is OKCQZMBFMJQILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2S/c1-3-8-17-11(2)5-4-9-20(18,19)14-10-12(15)6-7-13(14)16/h6-7,10-11,17H,3-5,8-9H2,1-2H3.
What are the key properties of 5-(2,5-difluorophenyl)sulfonyl-N-propylpentan-2-amine?
5-(2,5-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-(2,5-difluorophenyl)sulfonyl-N-propylpentan-2-amine is sourced from PubChem (CID 64673944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).