4-cyano-N-(2-ethoxyethyl)-2-(3-methoxypropylamino)benzenesulfonamide

C15H23N3O4S — CID 136575017

IUPAC4-cyano-N-(2-ethoxyethyl)-2-(3-methoxypropylamino)benzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1ccc(C#N)cc1NCCCOC
InChIInChI=1S/C15H23N3O4S/c1-3-22-10-8-18-23(19,20)15-6-5-13(12-16)11-14(15)17-7-4-9-21-2/h5-6,11,17-18H,3-4,7-10H2,1-2H3
InChIKeyTVCYEOVKCHSNKV-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.32
Rot. Bonds11

About 4-cyano-N-(2-ethoxyethyl)-2-(3-methoxypropylamino)benzenesulfonamide

4-cyano-N-(2-ethoxyethyl)-2-(3-methoxypropylamino)benzenesulfonamide (PubChem CID 136575017) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-cyano-N-(2-ethoxyethyl)-2-(3-methoxypropylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(2-ethoxyethyl)-2-(3-methoxypropylamino)benzenesulfonamide
PubChem CID136575017
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name4-cyano-N-(2-ethoxyethyl)-2-(3-methoxypropylamino)benzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1ccc(C#N)cc1NCCCOC
InChIInChI=1S/C15H23N3O4S/c1-3-22-10-8-18-23(19,20)15-6-5-13(12-16)11-14(15)17-7-4-9-21-2/h5-6,11,17-18H,3-4,7-10H2,1-2H3
InChIKeyTVCYEOVKCHSNKV-UHFFFAOYSA-N
XLogP1.32
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-cyano-N-cyclopentyl-2-(3-methoxypropylamino)benzenesulfonamide
CID 136575021
N-(2-butoxyethyl)-2-chloro-4-cyanobenzenesulfonamide
CID 103989243
4-(3-ethoxypropylamino)-3-methoxybenzonitrile
CID 104848581
3-amino-4-(3-methoxypropylamino)benzonitrile
CID 43518151
4-cyano-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methylbenzenesulfonamide
CID 103080918
4-(3-ethoxypropylamino)-3-(2-methoxyethylsulfamoyl)benzoic acid
CID 99978870
4-cyano-N-[(1-ethylcyclopropyl)methyl]-2-(3-hydroxypropylamino)benzenesulfonamide
CID 136575090
4-(3-methoxypropylamino)-3-nitrobenzonitrile
CID 39771872
3-(2-methoxyethylsulfamoylamino)-4-methylbenzonitrile
CID 114815107
3-cyano-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 47121937
2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-cyano-N-(2-methoxyethyl)benzenesulfonamide
CID 136589304
N-(3-chloropropyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998775

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-ethoxyethyl)-2-(3-methoxypropylamino)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(2-ethoxyethyl)-2-(3-methoxypropylamino)benzenesulfonamide (CID 136575017) is 4-cyano-N-(2-ethoxyethyl)-2-(3-methoxypropylamino)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(2-ethoxyethyl)-2-(3-methoxypropylamino)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(2-ethoxyethyl)-2-(3-methoxypropylamino)benzenesulfonamide is CCOCCNS(=O)(=O)c1ccc(C#N)cc1NCCCOC.
What is the InChIKey of 4-cyano-N-(2-ethoxyethyl)-2-(3-methoxypropylamino)benzenesulfonamide?
The InChIKey is TVCYEOVKCHSNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-3-22-10-8-18-23(19,20)15-6-5-13(12-16)11-14(15)17-7-4-9-21-2/h5-6,11,17-18H,3-4,7-10H2,1-2H3.
What are the key properties of 4-cyano-N-(2-ethoxyethyl)-2-(3-methoxypropylamino)benzenesulfonamide?
4-cyano-N-(2-ethoxyethyl)-2-(3-methoxypropylamino)benzenesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 1.32, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-ethoxyethyl)-2-(3-methoxypropylamino)benzenesulfonamide is sourced from PubChem (CID 136575017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).