2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine

C14H22FNO2S — CID 64640406

IUPAC2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO2S/c1-4-10-16-14(5-2)11(3)19(17,18)13-8-6-12(15)7-9-13/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyNTPZHYLITNQOTC-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.77
Rot. Bonds7

About 2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine

2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine (PubChem CID 64640406) has the molecular formula C14H22FNO2S and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine
PubChem CID64640406
Molecular FormulaC14H22FNO2S
Molecular Weight287.40 g/mol
Exact Mass287.14
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO2S/c1-4-10-16-14(5-2)11(3)19(17,18)13-8-6-12(15)7-9-13/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyNTPZHYLITNQOTC-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)sulfonyl-N-ethylpentan-3-amine
CID 64645434
3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine
CID 64638782
N-ethyl-2-(4-nitrophenyl)sulfonylpentan-3-amine
CID 64645910
N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine
CID 64638612
1-(4-fluorophenyl)-2-(propylamino)butan-1-ol
CID 82313150
2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine
CID 64645532
N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide
CID 63560932
3-(4-bromophenyl)sulfonyl-N-propylheptan-4-amine
CID 64646850
1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
CID 79446165
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene
CID 139197599
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine (CID 64640406) is 2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine is CCCNC(CC)C(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine?
The InChIKey is NTPZHYLITNQOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2S/c1-4-10-16-14(5-2)11(3)19(17,18)13-8-6-12(15)7-9-13/h6-9,11,14,16H,4-5,10H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine?
2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine has a molecular weight of 287.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine is sourced from PubChem (CID 64640406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).