3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide

C14H20N2O4S — CID 61060489

IUPAC3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCN(CCOC)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H20N2O4S/c1-19-9-4-7-16(8-10-20-2)21(17,18)14-6-3-5-13(11-14)12-15/h3,5-6,11H,4,7-10H2,1-2H3
InChIKeyRNVLABKSZQSWOK-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.23
Rot. Bonds9

About 3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide

3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide (PubChem CID 61060489) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
PubChem CID61060489
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCN(CCOC)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H20N2O4S/c1-19-9-4-7-16(8-10-20-2)21(17,18)14-6-3-5-13(11-14)12-15/h3,5-6,11H,4,7-10H2,1-2H3
InChIKeyRNVLABKSZQSWOK-UHFFFAOYSA-N
XLogP1.23
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-cyano-N-ethylbenzenesulfonamide
CID 24700685
3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119389
3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 174560677
2-[(3-cyanophenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62034793
N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 3252921
4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 65481019
N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide
CID 62685886
3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 60539740
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
CID 104626174
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide
CID 61384378
3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269699

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide (CID 61060489) is 3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide is COCCCN(CCOC)S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide?
The InChIKey is RNVLABKSZQSWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-19-9-4-7-16(8-10-20-2)21(17,18)14-6-3-5-13(11-14)12-15/h3,5-6,11H,4,7-10H2,1-2H3.
What are the key properties of 3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide?
3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.23, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 61060489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).