2-(4-cyano-2-methoxyanilino)ethanesulfonamide

C10H13N3O3S — CID 114385179

IUPAC2-(4-cyano-2-methoxyanilino)ethanesulfonamide
SMILESCOc1cc(C#N)ccc1NCCS(N)(=O)=O
InChIInChI=1S/C10H13N3O3S/c1-16-10-6-8(7-11)2-3-9(10)13-4-5-17(12,14)15/h2-3,6,13H,4-5H2,1H3,(H2,12,14,15)
InChIKeyOBIYVGRKZREXIP-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.27
Rot. Bonds5

About 2-(4-cyano-2-methoxyanilino)ethanesulfonamide

2-(4-cyano-2-methoxyanilino)ethanesulfonamide (PubChem CID 114385179) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyanilino)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyanilino)ethanesulfonamide
PubChem CID114385179
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-(4-cyano-2-methoxyanilino)ethanesulfonamide
SMILESCOc1cc(C#N)ccc1NCCS(N)(=O)=O
InChIInChI=1S/C10H13N3O3S/c1-16-10-6-8(7-11)2-3-9(10)13-4-5-17(12,14)15/h2-3,6,13H,4-5H2,1H3,(H2,12,14,15)
InChIKeyOBIYVGRKZREXIP-UHFFFAOYSA-N
XLogP0.27
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(dimethylamino)ethylamino]-3-methoxybenzonitrile
CID 104848661
4-(heptylamino)-3-methoxybenzonitrile
CID 104848308
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 104849226
4-(4-hydroxybutylamino)-3-methoxybenzonitrile
CID 104848657
N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521156
N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride
CID 18766652
3-methoxy-4-(4-methylsulfanylbutylamino)benzonitrile
CID 103088382
4-(3-ethoxypropylamino)-3-methoxybenzonitrile
CID 104848581
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328
3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile
CID 114815180
N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide
CID 104849054
4-hydrazinyl-3-methoxybenzonitrile;hydrochloride
CID 53404327

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyanilino)ethanesulfonamide?
The IUPAC name of 2-(4-cyano-2-methoxyanilino)ethanesulfonamide (CID 114385179) is 2-(4-cyano-2-methoxyanilino)ethanesulfonamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyanilino)ethanesulfonamide?
The canonical SMILES for 2-(4-cyano-2-methoxyanilino)ethanesulfonamide is COc1cc(C#N)ccc1NCCS(N)(=O)=O.
What is the InChIKey of 2-(4-cyano-2-methoxyanilino)ethanesulfonamide?
The InChIKey is OBIYVGRKZREXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-16-10-6-8(7-11)2-3-9(10)13-4-5-17(12,14)15/h2-3,6,13H,4-5H2,1H3,(H2,12,14,15).
What are the key properties of 2-(4-cyano-2-methoxyanilino)ethanesulfonamide?
2-(4-cyano-2-methoxyanilino)ethanesulfonamide has a molecular weight of 255.30 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyanilino)ethanesulfonamide is sourced from PubChem (CID 114385179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).