5-cyano-N-ethoxy-2-methylbenzenesulfonamide

C10H12N2O3S — CID 64973950

IUPAC5-cyano-N-ethoxy-2-methylbenzenesulfonamide
SMILESCCONS(=O)(=O)c1cc(C#N)ccc1C
InChIInChI=1S/C10H12N2O3S/c1-3-15-12-16(13,14)10-6-9(7-11)5-4-8(10)2/h4-6,12H,3H2,1-2H3
InChIKeyPXCATWRQCQVGRA-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.10
Rot. Bonds4

About 5-cyano-N-ethoxy-2-methylbenzenesulfonamide

5-cyano-N-ethoxy-2-methylbenzenesulfonamide (PubChem CID 64973950) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-cyano-N-ethoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-cyano-N-ethoxy-2-methylbenzenesulfonamide
PubChem CID64973950
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name5-cyano-N-ethoxy-2-methylbenzenesulfonamide
SMILESCCONS(=O)(=O)c1cc(C#N)ccc1C
InChIInChI=1S/C10H12N2O3S/c1-3-15-12-16(13,14)10-6-9(7-11)5-4-8(10)2/h4-6,12H,3H2,1-2H3
InChIKeyPXCATWRQCQVGRA-UHFFFAOYSA-N
XLogP1.10
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide
CID 115279308
5-cyano-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 115628616
N-(1-chloropropan-2-yl)-5-cyano-2-methylbenzenesulfonamide
CID 106442039
5-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzenesulfonamide
CID 107848116
5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302942
5-cyano-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 97071040
5-cyano-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616340
N-(4-aminobutyl)-5-cyano-2-methylbenzenesulfonamide;hydrochloride
CID 120583646
5-cyano-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbenzenesulfonamide
CID 103835529
5-cyano-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106035216
(2R)-2-[(5-cyano-2-methylphenyl)sulfonylamino]pentanoic acid
CID 104935465
5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 115753827

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-ethoxy-2-methylbenzenesulfonamide?
The IUPAC name of 5-cyano-N-ethoxy-2-methylbenzenesulfonamide (CID 64973950) is 5-cyano-N-ethoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-cyano-N-ethoxy-2-methylbenzenesulfonamide?
The canonical SMILES for 5-cyano-N-ethoxy-2-methylbenzenesulfonamide is CCONS(=O)(=O)c1cc(C#N)ccc1C.
What is the InChIKey of 5-cyano-N-ethoxy-2-methylbenzenesulfonamide?
The InChIKey is PXCATWRQCQVGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-3-15-12-16(13,14)10-6-9(7-11)5-4-8(10)2/h4-6,12H,3H2,1-2H3.
What are the key properties of 5-cyano-N-ethoxy-2-methylbenzenesulfonamide?
5-cyano-N-ethoxy-2-methylbenzenesulfonamide has a molecular weight of 240.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-ethoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 64973950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).