5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide

C9H11ClN2O5S2 — CID 83228578

IUPAC5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NOC2CCCC2)sc1Cl
InChIInChI=1S/C9H11ClN2O5S2/c10-9-7(12(13)14)5-8(18-9)19(15,16)11-17-6-3-1-2-4-6/h5-6,11H,1-4H2
InChIKeyLSGYGYHTQXTDLG-UHFFFAOYSA-N
MW326.78 g/mol
LogP2.46
Rot. Bonds5

About 5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide

5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide (PubChem CID 83228578) has the molecular formula C9H11ClN2O5S2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide
PubChem CID83228578
Molecular FormulaC9H11ClN2O5S2
Molecular Weight326.78 g/mol
Exact Mass325.98
IUPAC Name5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NOC2CCCC2)sc1Cl
InChIInChI=1S/C9H11ClN2O5S2/c10-9-7(12(13)14)5-8(18-9)19(15,16)11-17-6-3-1-2-4-6/h5-6,11H,1-4H2
InChIKeyLSGYGYHTQXTDLG-UHFFFAOYSA-N
XLogP2.46
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.46
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

4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide
CID 83228765
N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742266
5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide
CID 80742232
5-chloro-4-nitro-N-phenylmethoxythiophene-2-sulfonamide
CID 80735923
5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide
CID 80741858
N-cyclopentyloxy-2-nitrobenzenesulfonamide
CID 83228764
5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80742364
5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide
CID 80735211
5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide
CID 80742177
5-chloro-N-(cyclohexylmethyl)-N-methyl-4-nitrothiophene-2-sulfonamide
CID 112729909
5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide
CID 80742265
5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide
CID 102697574

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide (CID 83228578) is 5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)NOC2CCCC2)sc1Cl.
What is the InChIKey of 5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide?
The InChIKey is LSGYGYHTQXTDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O5S2/c10-9-7(12(13)14)5-8(18-9)19(15,16)11-17-6-3-1-2-4-6/h5-6,11H,1-4H2.
What are the key properties of 5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide?
5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide has a molecular weight of 326.78 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 83228578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).