3-amino-6-cyano-2-methylbenzenesulfonamide

C8H9N3O2S — CID 150282690

IUPAC3-amino-6-cyano-2-methylbenzenesulfonamide
SMILESCc1c(N)ccc(C#N)c1S(N)(=O)=O
InChIInChI=1S/C8H9N3O2S/c1-5-7(10)3-2-6(4-9)8(5)14(11,12)13/h2-3H,10H2,1H3,(H2,11,12,13)
InChIKeyGFXPGSNEKCHRLK-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.10
Rot. Bonds1

About 3-amino-6-cyano-2-methylbenzenesulfonamide

3-amino-6-cyano-2-methylbenzenesulfonamide (PubChem CID 150282690) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 3-amino-6-cyano-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-6-cyano-2-methylbenzenesulfonamide
PubChem CID150282690
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name3-amino-6-cyano-2-methylbenzenesulfonamide
SMILESCc1c(N)ccc(C#N)c1S(N)(=O)=O
InChIInChI=1S/C8H9N3O2S/c1-5-7(10)3-2-6(4-9)8(5)14(11,12)13/h2-3H,10H2,1H3,(H2,11,12,13)
InChIKeyGFXPGSNEKCHRLK-UHFFFAOYSA-N
XLogP0.10
TPSA109.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-fluoro-3-methylbenzonitrile;ethane
CID 144708474
2-acetyl-4-amino-3-methylbenzonitrile
CID 171013379
4-amino-3-cyanobenzenesulfonamide
CID 45080631
3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257536
N-(3-amino-2,6-dimethylphenyl)-2-cyanobenzenesulfonamide
CID 29271568
4-cyano-2-methyl-3-methylsulfonylbenzoic acid
CID 68974813
2-cyano-6-(trifluoromethyl)benzenesulfonamide
CID 171028588
4-amino-3-methylbenzene-1,2-disulfonic acid
CID 57282558
6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide
CID 151930753
azane;2-cyano-5-hydroxybenzenesulfonamide
CID 174596934
3-amino-N-(2-cyanoethyl)-N,2,6-trimethylbenzenesulfonamide
CID 43258516
4-cyano-2,3-dimethylbenzenesulfonic acid
CID 171775492

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-cyano-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-6-cyano-2-methylbenzenesulfonamide (CID 150282690) is 3-amino-6-cyano-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-6-cyano-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-6-cyano-2-methylbenzenesulfonamide is Cc1c(N)ccc(C#N)c1S(N)(=O)=O.
What is the InChIKey of 3-amino-6-cyano-2-methylbenzenesulfonamide?
The InChIKey is GFXPGSNEKCHRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-5-7(10)3-2-6(4-9)8(5)14(11,12)13/h2-3H,10H2,1H3,(H2,11,12,13).
What are the key properties of 3-amino-6-cyano-2-methylbenzenesulfonamide?
3-amino-6-cyano-2-methylbenzenesulfonamide has a molecular weight of 211.25 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-cyano-2-methylbenzenesulfonamide is sourced from PubChem (CID 150282690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).