4-bromo-N-cyclopentyloxybenzenesulfonamide

C11H14BrNO3S — CID 83229066

IUPAC4-bromo-N-cyclopentyloxybenzenesulfonamide
SMILESO=S(=O)(NOC1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO3S/c12-9-5-7-11(8-6-9)17(14,15)13-16-10-3-1-2-4-10/h5-8,10,13H,1-4H2
InChIKeyNZFUEGCCSQEWRM-UHFFFAOYSA-N
MW320.21 g/mol
LogP2.60
Rot. Bonds4

About 4-bromo-N-cyclopentyloxybenzenesulfonamide

4-bromo-N-cyclopentyloxybenzenesulfonamide (PubChem CID 83229066) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is 4-bromo-N-cyclopentyloxybenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-cyclopentyloxybenzenesulfonamide
PubChem CID83229066
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC Name4-bromo-N-cyclopentyloxybenzenesulfonamide
SMILESO=S(=O)(NOC1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO3S/c12-9-5-7-11(8-6-9)17(14,15)13-16-10-3-1-2-4-10/h5-8,10,13H,1-4H2
InChIKeyNZFUEGCCSQEWRM-UHFFFAOYSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyloxy-4-propan-2-ylbenzenesulfonamide
CID 83228861
4-(cyclopentyloxysulfamoyl)benzamide
CID 83229494
4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61061043
N-cyclopentyloxy-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110666979
4-bromo-N-dicyclohexylphosphanylbenzenesulfonamide
CID 118474049
N-cyclopentyloxy-2-nitrobenzenesulfonamide
CID 83228764
4-bromo-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80613183
N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide
CID 83228380
4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide
CID 59744414
methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-cyclohexylpropanoate
CID 74227202
3-bromo-N-cyclopentyloxy-2-fluoro-5-nitrobenzenesulfonamide
CID 83231665
2-(4-bromophenyl)sulfonylcycloheptan-1-ol
CID 106584989

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopentyloxybenzenesulfonamide?
The IUPAC name of 4-bromo-N-cyclopentyloxybenzenesulfonamide (CID 83229066) is 4-bromo-N-cyclopentyloxybenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-cyclopentyloxybenzenesulfonamide?
The canonical SMILES for 4-bromo-N-cyclopentyloxybenzenesulfonamide is O=S(=O)(NOC1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-cyclopentyloxybenzenesulfonamide?
The InChIKey is NZFUEGCCSQEWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S/c12-9-5-7-11(8-6-9)17(14,15)13-16-10-3-1-2-4-10/h5-8,10,13H,1-4H2.
What are the key properties of 4-bromo-N-cyclopentyloxybenzenesulfonamide?
4-bromo-N-cyclopentyloxybenzenesulfonamide has a molecular weight of 320.21 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopentyloxybenzenesulfonamide is sourced from PubChem (CID 83229066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).