2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide

C12H16N2O3S — CID 61384582

IUPAC2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
SMILESCCN(CCOC)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C12H16N2O3S/c1-3-14(8-9-17-2)18(15,16)12-7-5-4-6-11(12)10-13/h4-7H,3,8-9H2,1-2H3
InChIKeyMKHKVUDCXARKBA-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.22
Rot. Bonds6

About 2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide

2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 61384582) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID61384582
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
SMILESCCN(CCOC)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C12H16N2O3S/c1-3-14(8-9-17-2)18(15,16)12-7-5-4-6-11(12)10-13/h4-7H,3,8-9H2,1-2H3
InChIKeyMKHKVUDCXARKBA-UHFFFAOYSA-N
XLogP1.22
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 61447355
2-cyano-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801338
2-chloro-N-ethyl-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 54948785
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60961531
N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide
CID 79664125
2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63692385
2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid
CID 63646594
N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide
CID 43273076
N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide
CID 63286913
2-(3-aminoprop-1-ynyl)-N-ethyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61447521
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555
2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544727

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide (CID 61384582) is 2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide is CCN(CCOC)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is MKHKVUDCXARKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-3-14(8-9-17-2)18(15,16)12-7-5-4-6-11(12)10-13/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide?
2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 61384582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).