5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide

C11H16ClN3O4S2 — CID 80735211

IUPAC5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide
SMILESCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)CC1
InChIInChI=1S/C11H16ClN3O4S2/c1-2-14-5-3-8(4-6-14)13-21(18,19)10-7-9(15(16)17)11(12)20-10/h7-8,13H,2-6H2,1H3
InChIKeyLVQWKRAEIICYLR-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.07
Rot. Bonds5

About 5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide

5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide (PubChem CID 80735211) has the molecular formula C11H16ClN3O4S2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide
PubChem CID80735211
Molecular FormulaC11H16ClN3O4S2
Molecular Weight353.85 g/mol
Exact Mass353.03
IUPAC Name5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide
SMILESCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)CC1
InChIInChI=1S/C11H16ClN3O4S2/c1-2-14-5-3-8(4-6-14)13-21(18,19)10-7-9(15(16)17)11(12)20-10/h7-8,13H,2-6H2,1H3
InChIKeyLVQWKRAEIICYLR-UHFFFAOYSA-N
XLogP2.07
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.07
H-Bond Donors ≤ 51
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-4-nitro-N-pentan-3-ylthiophene-2-sulfonamide
CID 80741832
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
N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80746261
5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide
CID 83228578
N-(2-aminopropyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742338
5-chloro-N-[2-(ethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80742406
5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide
CID 80734680
5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
CID 80741851
5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide
CID 80742177
5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide
CID 80742265

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide (CID 80735211) is 5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide is CCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)CC1.
What is the InChIKey of 5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is LVQWKRAEIICYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S2/c1-2-14-5-3-8(4-6-14)13-21(18,19)10-7-9(15(16)17)11(12)20-10/h7-8,13H,2-6H2,1H3.
What are the key properties of 5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide?
5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 353.85 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80735211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).