N-(4-ethoxyphenyl)-N-ethyl-2,1,3-benzoxadiazole-4-sulfonamide

C16H17N3O4S — CID 3418779

IUPACN-(4-ethoxyphenyl)-N-ethyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCCOc1ccc(N(CC)S(=O)(=O)c2cccc3nonc23)cc1
InChIInChI=1S/C16H17N3O4S/c1-3-19(12-8-10-13(11-9-12)22-4-2)24(20,21)15-7-5-6-14-16(15)18-23-17-14/h5-11H,3-4H2,1-2H3
InChIKeyCRWYBKWRTXWZEE-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.84
Rot. Bonds6

About N-(4-ethoxyphenyl)-N-ethyl-2,1,3-benzoxadiazole-4-sulfonamide

N-(4-ethoxyphenyl)-N-ethyl-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 3418779) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-ethyl-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-ethyl-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID3418779
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-(4-ethoxyphenyl)-N-ethyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCCOc1ccc(N(CC)S(=O)(=O)c2cccc3nonc23)cc1
InChIInChI=1S/C16H17N3O4S/c1-3-19(12-8-10-13(11-9-12)22-4-2)24(20,21)15-7-5-6-14-16(15)18-23-17-14/h5-11H,3-4H2,1-2H3
InChIKeyCRWYBKWRTXWZEE-UHFFFAOYSA-N
XLogP2.84
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diazox_sulfon_A(36)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide
CID 4105425
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447
N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 4092014
N-[(3,4-diethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22206214
N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 25238444
N-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158136
3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 100511297
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]acetic acid
CID 92649142
N-(2,6-dimethylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22773719
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 17377916
N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 6467616
2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide
CID 22515945

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-ethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-ethyl-2,1,3-benzoxadiazole-4-sulfonamide (CID 3418779) is N-(4-ethoxyphenyl)-N-ethyl-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-ethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-ethyl-2,1,3-benzoxadiazole-4-sulfonamide is CCOc1ccc(N(CC)S(=O)(=O)c2cccc3nonc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-ethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is CRWYBKWRTXWZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-3-19(12-8-10-13(11-9-12)22-4-2)24(20,21)15-7-5-6-14-16(15)18-23-17-14/h5-11H,3-4H2,1-2H3.
What are the key properties of N-(4-ethoxyphenyl)-N-ethyl-2,1,3-benzoxadiazole-4-sulfonamide?
N-(4-ethoxyphenyl)-N-ethyl-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-ethyl-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 3418779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).