5-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-2-sulfonamide

C13H10ClN3O4S2 — CID 113082213

IUPAC5-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C1c2cccnc2C(=O)N1CCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClN3O4S2/c14-9-3-4-10(22-9)23(20,21)16-6-7-17-12(18)8-2-1-5-15-11(8)13(17)19/h1-5,16H,6-7H2
InChIKeyHRJGTDODQFLIKP-UHFFFAOYSA-N
MW371.83 g/mol
LogP1.37
Rot. Bonds5

About 5-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 113082213) has the molecular formula C13H10ClN3O4S2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 5-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-2-sulfonamide
PubChem CID113082213
Molecular FormulaC13H10ClN3O4S2
Molecular Weight371.83 g/mol
Exact Mass370.98
IUPAC Name5-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C1c2cccnc2C(=O)N1CCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClN3O4S2/c14-9-3-4-10(22-9)23(20,21)16-6-7-17-12(18)8-2-1-5-15-11(8)13(17)19/h1-5,16H,6-7H2
InChIKeyHRJGTDODQFLIKP-UHFFFAOYSA-N
XLogP1.37
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 113082197
4-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121022939
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 113082199
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113082221
5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide
CID 46286443
(E)-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2-(4-methylphenyl)ethenesulfonamide
CID 121022937
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]acetamide
CID 113082105
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121
N-(3,5-dimethylphenyl)-5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
CID 20917719
N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 113082311
5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide
CID 56684506

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-2-sulfonamide (CID 113082213) is 5-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-2-sulfonamide is O=C1c2cccnc2C(=O)N1CCNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is HRJGTDODQFLIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4S2/c14-9-3-4-10(22-9)23(20,21)16-6-7-17-12(18)8-2-1-5-15-11(8)13(17)19/h1-5,16H,6-7H2.
What are the key properties of 5-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 371.83 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113082213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).