5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide

C17H15ClN2O5S — CID 9270566

IUPAC5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C17H15ClN2O5S/c1-2-24-13-4-6-14(7-5-13)26(22,23)20-19-17(21)16-10-11-9-12(18)3-8-15(11)25-16/h3-10,20H,2H2,1H3,(H,19,21)
InChIKeyPCSIMLRZOZYURR-UHFFFAOYSA-N
MW394.84 g/mol
LogP3.11
Rot. Bonds6

About 5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide

5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide (PubChem CID 9270566) has the molecular formula C17H15ClN2O5S and a molecular weight of 394.84 g/mol. Its IUPAC name is 5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide
PubChem CID9270566
Molecular FormulaC17H15ClN2O5S
Molecular Weight394.84 g/mol
Exact Mass394.04
IUPAC Name5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C17H15ClN2O5S/c1-2-24-13-4-6-14(7-5-13)26(22,23)20-19-17(21)16-10-11-9-12(18)3-8-15(11)25-16/h3-10,20H,2H2,1H3,(H,19,21)
InChIKeyPCSIMLRZOZYURR-UHFFFAOYSA-N
XLogP3.11
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 9323491
N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617286
5-chloro-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137047420
N'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide
CID 59980820
N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617244
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
4-ethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8617267
1-N',6-N'-bis[(4-ethoxyphenyl)sulfonyl]hexanedihydrazide
CID 3116496
2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide
CID 78895773
ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate
CID 14476291
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)acetamide
CID 166208857
N'-(4-ethoxyphenyl)sulfonyl-2-phenylacetohydrazide
CID 7974595

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of 5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide (CID 9270566) is 5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide is CCOc1ccc(S(=O)(=O)NNC(=O)c2cc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of 5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide?
The InChIKey is PCSIMLRZOZYURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5S/c1-2-24-13-4-6-14(7-5-13)26(22,23)20-19-17(21)16-10-11-9-12(18)3-8-15(11)25-16/h3-10,20H,2H2,1H3,(H,19,21).
What are the key properties of 5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide?
5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide has a molecular weight of 394.84 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 9270566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).