4-cyano-3-ethoxybenzenesulfonamide

C9H10N2O3S — CID 5021737

IUPAC4-cyano-3-ethoxybenzenesulfonamide
SMILESCCOc1cc(S(N)(=O)=O)ccc1C#N
InChIInChI=1S/C9H10N2O3S/c1-2-14-9-5-8(15(11,12)13)4-3-7(9)6-10/h3-5H,2H2,1H3,(H2,11,12,13)
InChIKeyJAKRAHJUSBISGB-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.60
Rot. Bonds3

About 4-cyano-3-ethoxybenzenesulfonamide

4-cyano-3-ethoxybenzenesulfonamide (PubChem CID 5021737) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 4-cyano-3-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-3-ethoxybenzenesulfonamide
PubChem CID5021737
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name4-cyano-3-ethoxybenzenesulfonamide
SMILESCCOc1cc(S(N)(=O)=O)ccc1C#N
InChIInChI=1S/C9H10N2O3S/c1-2-14-9-5-8(15(11,12)13)4-3-7(9)6-10/h3-5H,2H2,1H3,(H2,11,12,13)
InChIKeyJAKRAHJUSBISGB-UHFFFAOYSA-N
XLogP0.60
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-methylsulfonylbenzonitrile
CID 59169927
4-cyano-3-ethoxybenzenesulfonyl chloride
CID 55280879
4-bromo-3-ethoxybenzenesulfonamide
CID 47000870
2-butoxy-4-methylsulfonylbenzonitrile
CID 59169933
3-cyano-4-ethoxybenzenesulfonyl chloride;2-ethoxybenzonitrile
CID 158306651
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
3-cyano-4-[(4-hydroxy-4-methylcyclohexyl)methoxy]benzenesulfonamide
CID 67227237
4-chloro-2-ethoxybenzonitrile
CID 22721189
3-cyano-4-ethoxy-N-propylbenzenesulfonamide
CID 171134169
2-ethoxy-4-isocyanatobenzonitrile
CID 169353655
4-amino-3-(2-cyanophenoxy)benzenesulfonamide
CID 82900103
5-amino-6-ethoxynaphthalene-2-sulfonamide
CID 154105512

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-ethoxybenzenesulfonamide?
The IUPAC name of 4-cyano-3-ethoxybenzenesulfonamide (CID 5021737) is 4-cyano-3-ethoxybenzenesulfonamide.
What is the SMILES notation for 4-cyano-3-ethoxybenzenesulfonamide?
The canonical SMILES for 4-cyano-3-ethoxybenzenesulfonamide is CCOc1cc(S(N)(=O)=O)ccc1C#N.
What is the InChIKey of 4-cyano-3-ethoxybenzenesulfonamide?
The InChIKey is JAKRAHJUSBISGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-2-14-9-5-8(15(11,12)13)4-3-7(9)6-10/h3-5H,2H2,1H3,(H2,11,12,13).
What are the key properties of 4-cyano-3-ethoxybenzenesulfonamide?
4-cyano-3-ethoxybenzenesulfonamide has a molecular weight of 226.26 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-ethoxybenzenesulfonamide is sourced from PubChem (CID 5021737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).