N-[5-[(1-ethylpiperidin-4-yl)amino]-2-fluorophenyl]methanesulfonamide

C14H22FN3O2S — CID 43731823

IUPACN-[5-[(1-ethylpiperidin-4-yl)amino]-2-fluorophenyl]methanesulfonamide
SMILESCCN1CCC(Nc2ccc(F)c(NS(C)(=O)=O)c2)CC1
InChIInChI=1S/C14H22FN3O2S/c1-3-18-8-6-11(7-9-18)16-12-4-5-13(15)14(10-12)17-21(2,19)20/h4-5,10-11,16-17H,3,6-9H2,1-2H3
InChIKeyIBGJQXUULWTPKY-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.09
Rot. Bonds5

About N-[5-[(1-ethylpiperidin-4-yl)amino]-2-fluorophenyl]methanesulfonamide

N-[5-[(1-ethylpiperidin-4-yl)amino]-2-fluorophenyl]methanesulfonamide (PubChem CID 43731823) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[5-[(1-ethylpiperidin-4-yl)amino]-2-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[(1-ethylpiperidin-4-yl)amino]-2-fluorophenyl]methanesulfonamide
PubChem CID43731823
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC NameN-[5-[(1-ethylpiperidin-4-yl)amino]-2-fluorophenyl]methanesulfonamide
SMILESCCN1CCC(Nc2ccc(F)c(NS(C)(=O)=O)c2)CC1
InChIInChI=1S/C14H22FN3O2S/c1-3-18-8-6-11(7-9-18)16-12-4-5-13(15)14(10-12)17-21(2,19)20/h4-5,10-11,16-17H,3,6-9H2,1-2H3
InChIKeyIBGJQXUULWTPKY-UHFFFAOYSA-N
XLogP2.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1-ethylpiperidin-4-yl)amino]-2-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[5-[(1-ethylpiperidin-4-yl)amino]-2-fluorophenyl]methanesulfonamide (CID 43731823) is N-[5-[(1-ethylpiperidin-4-yl)amino]-2-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[(1-ethylpiperidin-4-yl)amino]-2-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[5-[(1-ethylpiperidin-4-yl)amino]-2-fluorophenyl]methanesulfonamide is CCN1CCC(Nc2ccc(F)c(NS(C)(=O)=O)c2)CC1.
What is the InChIKey of N-[5-[(1-ethylpiperidin-4-yl)amino]-2-fluorophenyl]methanesulfonamide?
The InChIKey is IBGJQXUULWTPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-3-18-8-6-11(7-9-18)16-12-4-5-13(15)14(10-12)17-21(2,19)20/h4-5,10-11,16-17H,3,6-9H2,1-2H3.
What are the key properties of N-[5-[(1-ethylpiperidin-4-yl)amino]-2-fluorophenyl]methanesulfonamide?
N-[5-[(1-ethylpiperidin-4-yl)amino]-2-fluorophenyl]methanesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1-ethylpiperidin-4-yl)amino]-2-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 43731823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).