N-cyclopentyloxy-2-nitrobenzenesulfonamide

C11H14N2O5S — CID 83228764

IUPACN-cyclopentyloxy-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NOC1CCCC1
InChIInChI=1S/C11H14N2O5S/c14-13(15)10-7-3-4-8-11(10)19(16,17)12-18-9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2
InChIKeyKMZLQMBAONLMHX-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.75
Rot. Bonds5

About N-cyclopentyloxy-2-nitrobenzenesulfonamide

N-cyclopentyloxy-2-nitrobenzenesulfonamide (PubChem CID 83228764) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is N-cyclopentyloxy-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyloxy-2-nitrobenzenesulfonamide
PubChem CID83228764
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC NameN-cyclopentyloxy-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NOC1CCCC1
InChIInChI=1S/C11H14N2O5S/c14-13(15)10-7-3-4-8-11(10)19(16,17)12-18-9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2
InChIKeyKMZLQMBAONLMHX-UHFFFAOYSA-N
XLogP1.75
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide
CID 26541449
N-[(1S,2S)-2-hydroxycyclohexyl]-2-nitrobenzenesulfonamide
CID 101369255
N-cyclopentyloxy-2-methyl-5-nitrobenzenesulfonamide
CID 83228763
N-(2-chlorocyclohexyl)-2-nitrobenzenesulfonamide
CID 106441995
2-nitro-N-(thian-4-yl)benzenesulfonamide
CID 70967975
2-nitro-N-(1-oxothian-4-yl)benzenesulfonamide
CID 139050589
N-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide
CID 95037971
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide
CID 83228578
N-(methoxymethoxy)-2-nitrobenzenesulfonamide
CID 46848970
3-bromo-N-cyclopentyloxy-2-fluoro-5-nitrobenzenesulfonamide
CID 83231665

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-2-nitrobenzenesulfonamide?
The IUPAC name of N-cyclopentyloxy-2-nitrobenzenesulfonamide (CID 83228764) is N-cyclopentyloxy-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-cyclopentyloxy-2-nitrobenzenesulfonamide?
The canonical SMILES for N-cyclopentyloxy-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)NOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-2-nitrobenzenesulfonamide?
The InChIKey is KMZLQMBAONLMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c14-13(15)10-7-3-4-8-11(10)19(16,17)12-18-9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2.
What are the key properties of N-cyclopentyloxy-2-nitrobenzenesulfonamide?
N-cyclopentyloxy-2-nitrobenzenesulfonamide has a molecular weight of 286.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-2-nitrobenzenesulfonamide is sourced from PubChem (CID 83228764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).