N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridine-2-sulfonamide

C12H18FN3O3S — CID 103300517

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridine-2-sulfonamide
SMILESCCN1CCOC(CNS(=O)(=O)c2ncccc2F)C1
InChIInChI=1S/C12H18FN3O3S/c1-2-16-6-7-19-10(9-16)8-15-20(17,18)12-11(13)4-3-5-14-12/h3-5,10,15H,2,6-9H2,1H3
InChIKeySQSGKGUBQVPHBF-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.22
Rot. Bonds5

About N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridine-2-sulfonamide

N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridine-2-sulfonamide (PubChem CID 103300517) has the molecular formula C12H18FN3O3S and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridine-2-sulfonamide
PubChem CID103300517
Molecular FormulaC12H18FN3O3S
Molecular Weight303.36 g/mol
Exact Mass303.11
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridine-2-sulfonamide
SMILESCCN1CCOC(CNS(=O)(=O)c2ncccc2F)C1
InChIInChI=1S/C12H18FN3O3S/c1-2-16-6-7-19-10(9-16)8-15-20(17,18)12-11(13)4-3-5-14-12/h3-5,10,15H,2,6-9H2,1H3
InChIKeySQSGKGUBQVPHBF-UHFFFAOYSA-N
XLogP0.22
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridine-2-sulfonamide (CID 103300517) is N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridine-2-sulfonamide is CCN1CCOC(CNS(=O)(=O)c2ncccc2F)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridine-2-sulfonamide?
The InChIKey is SQSGKGUBQVPHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3S/c1-2-16-6-7-19-10(9-16)8-15-20(17,18)12-11(13)4-3-5-14-12/h3-5,10,15H,2,6-9H2,1H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridine-2-sulfonamide?
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridine-2-sulfonamide has a molecular weight of 303.36 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103300517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).