2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide

C14H14FN3O3S — CID 112993090

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)NCc1cccnc1
InChIInChI=1S/C14H14FN3O3S/c15-12-3-5-13(6-4-12)22(20,21)18-10-14(19)17-9-11-2-1-7-16-8-11/h1-8,18H,9-10H2,(H,17,19)
InChIKeyQPBXWRQSJZYRGF-UHFFFAOYSA-N
MW323.35 g/mol
LogP0.82
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide

2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 112993090) has the molecular formula C14H14FN3O3S and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID112993090
Molecular FormulaC14H14FN3O3S
Molecular Weight323.35 g/mol
Exact Mass323.07
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)NCc1cccnc1
InChIInChI=1S/C14H14FN3O3S/c15-12-3-5-13(6-4-12)22(20,21)18-10-14(19)17-9-11-2-1-7-16-8-11/h1-8,18H,9-10H2,(H,17,19)
InChIKeyQPBXWRQSJZYRGF-UHFFFAOYSA-N
XLogP0.82
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 53280149
1-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 90011717
2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 21156621
N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1210518
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137690
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873
3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid
CID 10789321
4-(furan-2-ylmethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 24538489
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 30265535
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993213

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide (CID 112993090) is 2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide is O=C(CNS(=O)(=O)c1ccc(F)cc1)NCc1cccnc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is QPBXWRQSJZYRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S/c15-12-3-5-13(6-4-12)22(20,21)18-10-14(19)17-9-11-2-1-7-16-8-11/h1-8,18H,9-10H2,(H,17,19).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 112993090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).