2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide

C14H13FN2O3S2 — CID 9068049

IUPAC2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O3S2/c15-10-5-7-11(8-6-10)22(19,20)17-12-3-1-2-4-13(12)21-9-14(16)18/h1-8,17H,9H2,(H2,16,18)
InChIKeyFFOQRUVNIHJABR-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.20
Rot. Bonds6

About 2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide

2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide (PubChem CID 9068049) has the molecular formula C14H13FN2O3S2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide
PubChem CID9068049
Molecular FormulaC14H13FN2O3S2
Molecular Weight340.40 g/mol
Exact Mass340.04
IUPAC Name2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O3S2/c15-10-5-7-11(8-6-10)22(19,20)17-12-3-1-2-4-13(12)21-9-14(16)18/h1-8,17H,9H2,(H2,16,18)
InChIKeyFFOQRUVNIHJABR-UHFFFAOYSA-N
XLogP2.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068075
2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide
CID 9068077
2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068061
2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068095
4-fluoro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2207449
2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide
CID 8840935
2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide
CID 61052007
2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide
CID 5296763
N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 28570483
2-(3,4-difluorophenyl)sulfanyl-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 55912832
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide (CID 9068049) is 2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide?
The InChIKey is FFOQRUVNIHJABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S2/c15-10-5-7-11(8-6-10)22(19,20)17-12-3-1-2-4-13(12)21-9-14(16)18/h1-8,17H,9H2,(H2,16,18).
What are the key properties of 2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide?
2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide has a molecular weight of 340.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 9068049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).