5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide

C11H16ClN3O4S2 — CID 80745692

IUPAC5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C11H16ClN3O4S2/c1-2-14(8-3-5-13-6-4-8)21(18,19)10-7-9(15(16)17)11(12)20-10/h7-8,13H,2-6H2,1H3
InChIKeyUOEWVEAPNJHYIY-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.07
Rot. Bonds5

About 5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide

5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide (PubChem CID 80745692) has the molecular formula C11H16ClN3O4S2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide
PubChem CID80745692
Molecular FormulaC11H16ClN3O4S2
Molecular Weight353.85 g/mol
Exact Mass353.03
IUPAC Name5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C11H16ClN3O4S2/c1-2-14(8-3-5-13-6-4-8)21(18,19)10-7-9(15(16)17)11(12)20-10/h7-8,13H,2-6H2,1H3
InChIKeyUOEWVEAPNJHYIY-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-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80735432
5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80741766
5-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-nitrothiophene-2-sulfonamide
CID 102861554
5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80742364
5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 103100371
5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994172
5-chloro-N-(cyclohexylmethyl)-N-methyl-4-nitrothiophene-2-sulfonamide
CID 112729909
5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 55206101
N-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide
CID 103100478
1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 80734863
2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806432
7-nitro-N-piperidin-4-yl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 119993806

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide (CID 80745692) is 5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide is CCN(C1CCNCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1.
What is the InChIKey of 5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide?
The InChIKey is UOEWVEAPNJHYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S2/c1-2-14(8-3-5-13-6-4-8)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-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide?
5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-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-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide is sourced from PubChem (CID 80745692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).