5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide

C9H10ClN3O5S2 — CID 80742177

IUPAC5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide
SMILESO=C1NCCCC1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C9H10ClN3O5S2/c10-8-6(13(15)16)4-7(19-8)20(17,18)12-5-2-1-3-11-9(5)14/h4-5,12H,1-3H2,(H,11,14)
InChIKeyWFXISSLPAPTLPF-UHFFFAOYSA-N
MW339.78 g/mol
LogP0.87
Rot. Bonds4

About 5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide

5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide (PubChem CID 80742177) has the molecular formula C9H10ClN3O5S2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide
PubChem CID80742177
Molecular FormulaC9H10ClN3O5S2
Molecular Weight339.78 g/mol
Exact Mass338.98
IUPAC Name5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide
SMILESO=C1NCCCC1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C9H10ClN3O5S2/c10-8-6(13(15)16)4-7(19-8)20(17,18)12-5-2-1-3-11-9(5)14/h4-5,12H,1-3H2,(H,11,14)
InChIKeyWFXISSLPAPTLPF-UHFFFAOYSA-N
XLogP0.87
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide
CID 80734680
N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742266
3-[(5-methylsulfonyl-3-nitrothiophen-2-yl)amino]azepan-2-one
CID 133441188
5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide
CID 80741858
5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide
CID 25042934
5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide
CID 83228578
2-amino-5-nitro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62147944
5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide
CID 80742232
5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide
CID 80735211
4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49149515
5-chloro-4-nitro-N-pentan-3-ylthiophene-2-sulfonamide
CID 80741832
(4aS,7aS)-6-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681204

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide (CID 80742177) is 5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide is O=C1NCCCC1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1.
What is the InChIKey of 5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide?
The InChIKey is WFXISSLPAPTLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O5S2/c10-8-6(13(15)16)4-7(19-8)20(17,18)12-5-2-1-3-11-9(5)14/h4-5,12H,1-3H2,(H,11,14).
What are the key properties of 5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide?
5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide has a molecular weight of 339.78 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 80742177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).