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

C17H11N3O4S2 — CID 113082962

IUPACN-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]thiophene-2-sulfonamide
SMILESO=C1c2cccnc2C(=O)N1c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C17H11N3O4S2/c21-16-13-3-1-9-18-15(13)17(22)20(16)12-7-5-11(6-8-12)19-26(23,24)14-4-2-10-25-14/h1-10,19H
InChIKeyBUBCUEHWMXOSJJ-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.74
Rot. Bonds4

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

N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 113082962) has the molecular formula C17H11N3O4S2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]thiophene-2-sulfonamide
PubChem CID113082962
Molecular FormulaC17H11N3O4S2
Molecular Weight385.43 g/mol
Exact Mass385.02
IUPAC NameN-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]thiophene-2-sulfonamide
SMILESO=C1c2cccnc2C(=O)N1c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C17H11N3O4S2/c21-16-13-3-1-9-18-15(13)17(22)20(16)12-7-5-11(6-8-12)19-26(23,24)14-4-2-10-25-14/h1-10,19H
InChIKeyBUBCUEHWMXOSJJ-UHFFFAOYSA-N
XLogP2.74
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.74
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-[4-(2-oxoimidazolidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 60707214
N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7635774
1-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-propan-2-ylurea
CID 113082952
4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide
CID 1354596
N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-4-methylbenzamide
CID 113082913
6-(3-iodo-4-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 114257347
methyl 2-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenoxy]acetate
CID 9324085
N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 2405422
N-[4-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide
CID 21167700
N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide
CID 23097746
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1075762
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide
CID 110352354

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]thiophene-2-sulfonamide (CID 113082962) is N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]thiophene-2-sulfonamide is O=C1c2cccnc2C(=O)N1c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is BUBCUEHWMXOSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O4S2/c21-16-13-3-1-9-18-15(13)17(22)20(16)12-7-5-11(6-8-12)19-26(23,24)14-4-2-10-25-14/h1-10,19H.
What are the key properties of N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]thiophene-2-sulfonamide?
N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 385.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113082962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).