5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide

C9H8ClN3O6S2 — CID 80734680

IUPAC5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide
SMILESO=C1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)C(=O)N1
InChIInChI=1S/C9H8ClN3O6S2/c10-8-5(13(16)17)3-7(20-8)21(18,19)12-4-1-2-6(14)11-9(4)15/h3-4,12H,1-2H2,(H,11,14,15)
InChIKeyYLEAQISTYUVZEE-UHFFFAOYSA-N
MW353.77 g/mol
LogP0.39
Rot. Bonds4

About 5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide

5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide (PubChem CID 80734680) has the molecular formula C9H8ClN3O6S2 and a molecular weight of 353.77 g/mol. Its IUPAC name is 5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide
PubChem CID80734680
Molecular FormulaC9H8ClN3O6S2
Molecular Weight353.77 g/mol
Exact Mass352.95
IUPAC Name5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide
SMILESO=C1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)C(=O)N1
InChIInChI=1S/C9H8ClN3O6S2/c10-8-5(13(16)17)3-7(20-8)21(18,19)12-4-1-2-6(14)11-9(4)15/h3-4,12H,1-2H2,(H,11,14,15)
InChIKeyYLEAQISTYUVZEE-UHFFFAOYSA-N
XLogP0.39
TPSA135.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide
CID 80742177
N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742266
5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide
CID 80741858
5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide
CID 80742232
5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide
CID 80735211
5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide
CID 83228578
5-chloro-4-nitro-N-pentan-3-ylthiophene-2-sulfonamide
CID 80741832
5-[(2,6-dioxopiperidin-3-yl)sulfamoyl]thiophene-2-carbothioamide
CID 106271428
5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide
CID 80742265
5-chloro-4-nitrothiophene-2-sulfonamide
CID 2735782
5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80741766
5-chloro-N-(2-iodoethyl)-4-nitrothiophene-2-sulfonamide
CID 106442151

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide (CID 80734680) is 5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide is O=C1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)C(=O)N1.
What is the InChIKey of 5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is YLEAQISTYUVZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O6S2/c10-8-5(13(16)17)3-7(20-8)21(18,19)12-4-1-2-6(14)11-9(4)15/h3-4,12H,1-2H2,(H,11,14,15).
What are the key properties of 5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide?
5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 353.77 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80734680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).