N-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide

C10H16FN3O2S — CID 107595222

IUPACN-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)Nc1ccncc1F
InChIInChI=1S/C10H16FN3O2S/c1-8(2)13-5-6-17(15,16)14-10-3-4-12-7-9(10)11/h3-4,7-8,13H,5-6H2,1-2H3,(H,12,14)
InChIKeyORYSOMTWMXOLGH-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.96
Rot. Bonds6

About N-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide

N-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 107595222) has the molecular formula C10H16FN3O2S and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID107595222
Molecular FormulaC10H16FN3O2S
Molecular Weight261.32 g/mol
Exact Mass261.09
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)Nc1ccncc1F
InChIInChI=1S/C10H16FN3O2S/c1-8(2)13-5-6-17(15,16)14-10-3-4-12-7-9(10)11/h3-4,7-8,13H,5-6H2,1-2H3,(H,12,14)
InChIKeyORYSOMTWMXOLGH-UHFFFAOYSA-N
XLogP0.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107595287
N-(3-fluoro-4-pyridinyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 106090095
N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54973547
N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 114701089
N-[2-(3-fluoro-4-pyridinyl)ethyl]propan-2-amine
CID 104738943
2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 54972222
N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 107595393
N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54974025
2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 54973657
3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine
CID 104739416
2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide
CID 116787333
N-(5-bromo-2-methylphenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54971985

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide (CID 107595222) is N-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide is CC(C)NCCS(=O)(=O)Nc1ccncc1F.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is ORYSOMTWMXOLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2S/c1-8(2)13-5-6-17(15,16)14-10-3-4-12-7-9(10)11/h3-4,7-8,13H,5-6H2,1-2H3,(H,12,14).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 107595222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).