4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide

C11H13ClN2O5S — CID 83228765

IUPAC4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NOC1CCCC1
InChIInChI=1S/C11H13ClN2O5S/c12-8-5-6-11(10(7-8)14(15)16)20(17,18)13-19-9-3-1-2-4-9/h5-7,9,13H,1-4H2
InChIKeyLPBOYBCMSAWXJO-UHFFFAOYSA-N
MW320.75 g/mol
LogP2.40
Rot. Bonds5

About 4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide

4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide (PubChem CID 83228765) has the molecular formula C11H13ClN2O5S and a molecular weight of 320.75 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide
PubChem CID83228765
Molecular FormulaC11H13ClN2O5S
Molecular Weight320.75 g/mol
Exact Mass320.02
IUPAC Name4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NOC1CCCC1
InChIInChI=1S/C11H13ClN2O5S/c12-8-5-6-11(10(7-8)14(15)16)20(17,18)13-19-9-3-1-2-4-9/h5-7,9,13H,1-4H2
InChIKeyLPBOYBCMSAWXJO-UHFFFAOYSA-N
XLogP2.40
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 52.40
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

N-cyclopentyloxy-2-nitrobenzenesulfonamide
CID 83228764
4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide
CID 5188456
N-(2-aminocyclohexyl)-4-chloro-2-nitrobenzenesulfonamide
CID 61037370
5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide
CID 83228578
4-chloro-2-nitro-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62665331
N-cyclopentyloxy-2-methyl-5-nitrobenzenesulfonamide
CID 83228763
N-(2-aminocyclopropyl)-4-chloro-2-nitrobenzenesulfonamide
CID 43596895
4-chloro-N-[cyclopropyl(phenyl)methyl]-2-nitrobenzenesulfonamide
CID 55565443
2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide
CID 83229495
N-(3-aminocyclobutyl)-4-chloro-2-nitrobenzenesulfonamide
CID 43597678
N-cyclopentyloxy-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 83231807
4-chloro-2-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686245

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide (CID 83228765) is 4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NOC1CCCC1.
What is the InChIKey of 4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide?
The InChIKey is LPBOYBCMSAWXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O5S/c12-8-5-6-11(10(7-8)14(15)16)20(17,18)13-19-9-3-1-2-4-9/h5-7,9,13H,1-4H2.
What are the key properties of 4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide?
4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide has a molecular weight of 320.75 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide is sourced from PubChem (CID 83228765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).