3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide

C14H20N2O3S — CID 103270415

IUPAC3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCCOCC(NS(=O)(=O)c1cccc(C#N)c1)C(C)C
InChIInChI=1S/C14H20N2O3S/c1-4-19-10-14(11(2)3)16-20(17,18)13-7-5-6-12(8-13)9-15/h5-8,11,14,16H,4,10H2,1-3H3
InChIKeyHCZOXCPALFTUMF-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.90
Rot. Bonds7

About 3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide

3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 103270415) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
PubChem CID103270415
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCCOCC(NS(=O)(=O)c1cccc(C#N)c1)C(C)C
InChIInChI=1S/C14H20N2O3S/c1-4-19-10-14(11(2)3)16-20(17,18)13-7-5-6-12(8-13)9-15/h5-8,11,14,16H,4,10H2,1-3H3
InChIKeyHCZOXCPALFTUMF-UHFFFAOYSA-N
XLogP1.90
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-cyanophenyl)sulfonylamino]-4-methylpentanoic acid
CID 75496514
2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270424
3-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 42999377
3-cyano-N-(3-oxopentan-2-yl)benzenesulfonamide
CID 64994464
3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 103270413
N-but-3-en-2-yl-3-cyanobenzenesulfonamide
CID 103750108
3-cyano-N-(1-cyanobutan-2-yl)benzenesulfonamide
CID 62646004
3-cyano-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide
CID 104854782
3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63010767
3-cyano-N-(4-ethylsulfanylbutan-2-yl)benzenesulfonamide
CID 115662747
3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 81258377
propan-2-yl (2S)-2-[(3-cyanophenyl)sulfonylamino]propanoate
CID 124588327

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide (CID 103270415) is 3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide is CCOCC(NS(=O)(=O)c1cccc(C#N)c1)C(C)C.
What is the InChIKey of 3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is HCZOXCPALFTUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-19-10-14(11(2)3)16-20(17,18)13-7-5-6-12(8-13)9-15/h5-8,11,14,16H,4,10H2,1-3H3.
What are the key properties of 3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide?
3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 103270415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).