3-bromo-N-cyclopentyloxy-2-fluoro-5-nitrobenzenesulfonamide

C11H12BrFN2O5S — CID 83231665

IUPAC3-bromo-N-cyclopentyloxy-2-fluoro-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(Br)c(F)c(S(=O)(=O)NOC2CCCC2)c1
InChIInChI=1S/C11H12BrFN2O5S/c12-9-5-7(15(16)17)6-10(11(9)13)21(18,19)14-20-8-3-1-2-4-8/h5-6,8,14H,1-4H2
InChIKeyFILDKWWQBICDHT-UHFFFAOYSA-N
MW383.20 g/mol
LogP2.65
Rot. Bonds5

About 3-bromo-N-cyclopentyloxy-2-fluoro-5-nitrobenzenesulfonamide

3-bromo-N-cyclopentyloxy-2-fluoro-5-nitrobenzenesulfonamide (PubChem CID 83231665) has the molecular formula C11H12BrFN2O5S and a molecular weight of 383.20 g/mol. Its IUPAC name is 3-bromo-N-cyclopentyloxy-2-fluoro-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-cyclopentyloxy-2-fluoro-5-nitrobenzenesulfonamide
PubChem CID83231665
Molecular FormulaC11H12BrFN2O5S
Molecular Weight383.20 g/mol
Exact Mass381.96
IUPAC Name3-bromo-N-cyclopentyloxy-2-fluoro-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(Br)c(F)c(S(=O)(=O)NOC2CCCC2)c1
InChIInChI=1S/C11H12BrFN2O5S/c12-9-5-7(15(16)17)6-10(11(9)13)21(18,19)14-20-8-3-1-2-4-8/h5-6,8,14H,1-4H2
InChIKeyFILDKWWQBICDHT-UHFFFAOYSA-N
XLogP2.65
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.20
LogP ≤ 52.65
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-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 83231807
N-cyclopentyloxy-2-methyl-5-nitrobenzenesulfonamide
CID 83228763
N-cyclopentyloxy-2-nitrobenzenesulfonamide
CID 83228764
4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide
CID 83228765
4-bromo-N-cyclopentyloxybenzenesulfonamide
CID 83229066
2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide
CID 83229495
5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide
CID 83228578
3-(2-cycloheptyloxyethylamino)-5-nitrobenzenesulfonamide
CID 133308700
N-(cyclopentylmethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 43066033
cyclobutyl 3-chlorosulfonyl-2-fluoro-5-nitrobenzoate
CID 65373364
N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide
CID 83228380
methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate
CID 102919619

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopentyloxy-2-fluoro-5-nitrobenzenesulfonamide?
The IUPAC name of 3-bromo-N-cyclopentyloxy-2-fluoro-5-nitrobenzenesulfonamide (CID 83231665) is 3-bromo-N-cyclopentyloxy-2-fluoro-5-nitrobenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-cyclopentyloxy-2-fluoro-5-nitrobenzenesulfonamide?
The canonical SMILES for 3-bromo-N-cyclopentyloxy-2-fluoro-5-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(Br)c(F)c(S(=O)(=O)NOC2CCCC2)c1.
What is the InChIKey of 3-bromo-N-cyclopentyloxy-2-fluoro-5-nitrobenzenesulfonamide?
The InChIKey is FILDKWWQBICDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O5S/c12-9-5-7(15(16)17)6-10(11(9)13)21(18,19)14-20-8-3-1-2-4-8/h5-6,8,14H,1-4H2.
What are the key properties of 3-bromo-N-cyclopentyloxy-2-fluoro-5-nitrobenzenesulfonamide?
3-bromo-N-cyclopentyloxy-2-fluoro-5-nitrobenzenesulfonamide has a molecular weight of 383.20 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopentyloxy-2-fluoro-5-nitrobenzenesulfonamide is sourced from PubChem (CID 83231665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).