2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide

C10H11F2N3O2S — CID 114175359

IUPAC2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ccc(C#N)c(F)c1F
InChIInChI=1S/C10H11F2N3O2S/c1-14-18(16,17)5-4-15-8-3-2-7(6-13)9(11)10(8)12/h2-3,14-15H,4-5H2,1H3
InChIKeyQAAJZLMBDBJQCX-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.80
Rot. Bonds5

About 2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide

2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide (PubChem CID 114175359) has the molecular formula C10H11F2N3O2S and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide
PubChem CID114175359
Molecular FormulaC10H11F2N3O2S
Molecular Weight275.28 g/mol
Exact Mass275.05
IUPAC Name2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ccc(C#N)c(F)c1F
InChIInChI=1S/C10H11F2N3O2S/c1-14-18(16,17)5-4-15-8-3-2-7(6-13)9(11)10(8)12/h2-3,14-15H,4-5H2,1H3
InChIKeyQAAJZLMBDBJQCX-UHFFFAOYSA-N
XLogP0.80
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-cyanoanilino)-N-methylethanesulfonamide
CID 114175304
methyl 2,3-difluoro-4-[2-(methylsulfamoyl)ethylamino]benzoate
CID 106337575
2,3-difluoro-4-(prop-2-ynylamino)benzonitrile
CID 107933287
2-(4-cyano-2,3-difluoroanilino)ethylurea
CID 107934087
2,3-difluoro-4-(2-phenylethylamino)benzonitrile
CID 107933230
2,3-difluoro-4-(6-hydroxyhexylamino)benzonitrile
CID 107934321
4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile
CID 107933737
2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337732
2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 102675423
2,3-difluoro-4-(1-methylsulfonylpropan-2-ylamino)benzonitrile
CID 107933888
N-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide
CID 107933660
2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide
CID 106334008

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide?
The IUPAC name of 2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide (CID 114175359) is 2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide.
What is the SMILES notation for 2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide?
The canonical SMILES for 2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1ccc(C#N)c(F)c1F.
What is the InChIKey of 2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide?
The InChIKey is QAAJZLMBDBJQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O2S/c1-14-18(16,17)5-4-15-8-3-2-7(6-13)9(11)10(8)12/h2-3,14-15H,4-5H2,1H3.
What are the key properties of 2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide?
2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide has a molecular weight of 275.28 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide is sourced from PubChem (CID 114175359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).