5-chloro-N'-(4-ethoxyphenyl)sulfonylthiophene-2-sulfonohydrazide

C12H13ClN2O5S3 — CID 8523166

IUPAC5-chloro-N'-(4-ethoxyphenyl)sulfonylthiophene-2-sulfonohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H13ClN2O5S3/c1-2-20-9-3-5-10(6-4-9)22(16,17)14-15-23(18,19)12-8-7-11(13)21-12/h3-8,14-15H,2H2,1H3
InChIKeyOMVWSMTVTRDCDD-UHFFFAOYSA-N
MW396.90 g/mol
LogP1.97
Rot. Bonds7

About 5-chloro-N'-(4-ethoxyphenyl)sulfonylthiophene-2-sulfonohydrazide

5-chloro-N'-(4-ethoxyphenyl)sulfonylthiophene-2-sulfonohydrazide (PubChem CID 8523166) has the molecular formula C12H13ClN2O5S3 and a molecular weight of 396.90 g/mol. Its IUPAC name is 5-chloro-N'-(4-ethoxyphenyl)sulfonylthiophene-2-sulfonohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(4-ethoxyphenyl)sulfonylthiophene-2-sulfonohydrazide
PubChem CID8523166
Molecular FormulaC12H13ClN2O5S3
Molecular Weight396.90 g/mol
Exact Mass395.97
IUPAC Name5-chloro-N'-(4-ethoxyphenyl)sulfonylthiophene-2-sulfonohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H13ClN2O5S3/c1-2-20-9-3-5-10(6-4-9)22(16,17)14-15-23(18,19)12-8-7-11(13)21-12/h3-8,14-15H,2H2,1H3
InChIKeyOMVWSMTVTRDCDD-UHFFFAOYSA-N
XLogP1.97
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780906
N'-(4-chloro-1,3-thiazol-2-yl)-4-ethoxybenzenesulfonohydrazide
CID 123219813
methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate
CID 8501031
1-N',6-N'-bis[(4-ethoxyphenyl)sulfonyl]hexanedihydrazide
CID 3116496
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide
CID 8500723
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
CID 113456578
4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839268
1-ethoxy-4-ethylsulfonylbenzene
CID 12846221
4-ethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8617267
N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 30366253
N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617244

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(4-ethoxyphenyl)sulfonylthiophene-2-sulfonohydrazide?
The IUPAC name of 5-chloro-N'-(4-ethoxyphenyl)sulfonylthiophene-2-sulfonohydrazide (CID 8523166) is 5-chloro-N'-(4-ethoxyphenyl)sulfonylthiophene-2-sulfonohydrazide.
What is the SMILES notation for 5-chloro-N'-(4-ethoxyphenyl)sulfonylthiophene-2-sulfonohydrazide?
The canonical SMILES for 5-chloro-N'-(4-ethoxyphenyl)sulfonylthiophene-2-sulfonohydrazide is CCOc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N'-(4-ethoxyphenyl)sulfonylthiophene-2-sulfonohydrazide?
The InChIKey is OMVWSMTVTRDCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O5S3/c1-2-20-9-3-5-10(6-4-9)22(16,17)14-15-23(18,19)12-8-7-11(13)21-12/h3-8,14-15H,2H2,1H3.
What are the key properties of 5-chloro-N'-(4-ethoxyphenyl)sulfonylthiophene-2-sulfonohydrazide?
5-chloro-N'-(4-ethoxyphenyl)sulfonylthiophene-2-sulfonohydrazide has a molecular weight of 396.90 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(4-ethoxyphenyl)sulfonylthiophene-2-sulfonohydrazide is sourced from PubChem (CID 8523166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).