4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide

C12H18N4O2S — CID 82945076

IUPAC4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
SMILESCC(CN(C)C)NS(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C12H18N4O2S/c1-9(8-16(2)3)15-19(17,18)12-5-4-11(14)6-10(12)7-13/h4-6,9,15H,8,14H2,1-3H3
InChIKeyIFMSDXYLQLKYPQ-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.37
Rot. Bonds5

About 4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide

4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide (PubChem CID 82945076) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
PubChem CID82945076
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
SMILESCC(CN(C)C)NS(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C12H18N4O2S/c1-9(8-16(2)3)15-19(17,18)12-5-4-11(14)6-10(12)7-13/h4-6,9,15H,8,14H2,1-3H3
InChIKeyIFMSDXYLQLKYPQ-UHFFFAOYSA-N
XLogP0.37
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-butan-2-yl-2-cyanobenzenesulfonamide
CID 43255660
4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83176394
4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466265
4-amino-2-cyano-N-pentan-3-ylbenzenesulfonamide
CID 43255682
2-[(4-amino-2-cyanophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103106525
4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 93081252
4-amino-2-cyano-N,N-dimethylbenzenesulfonamide
CID 43256213
4-amino-2-cyano-N-ethylbenzenesulfonamide
CID 43255698
4-amino-2-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 43256371
4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126627
N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 82939806
4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822731

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide?
The IUPAC name of 4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide (CID 82945076) is 4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide is CC(CN(C)C)NS(=O)(=O)c1ccc(N)cc1C#N.
What is the InChIKey of 4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide?
The InChIKey is IFMSDXYLQLKYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-9(8-16(2)3)15-19(17,18)12-5-4-11(14)6-10(12)7-13/h4-6,9,15H,8,14H2,1-3H3.
What are the key properties of 4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide?
4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 82945076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).