4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide

C14H20BrNO3S — CID 61061043

IUPAC4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO3S/c15-12-6-8-14(9-7-12)20(17,18)16-10-11-19-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-11H2
InChIKeyXWNMYKLSLQIFKH-UHFFFAOYSA-N
MW362.29 g/mol
LogP3.08
Rot. Bonds6

About 4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide

4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide (PubChem CID 61061043) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
PubChem CID61061043
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO3S/c15-12-6-8-14(9-7-12)20(17,18)16-10-11-19-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-11H2
InChIKeyXWNMYKLSLQIFKH-UHFFFAOYSA-N
XLogP3.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137
2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61059255
3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 63824236
N-(2-cyclohexyloxyethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 63829030
4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 63824064
N-(2-aminooxyethyl)-4-bromobenzenesulfonamide
CID 39404275
2-amino-N-(2-cyclopentyloxyethyl)pyrimidine-5-sulfonamide
CID 55260708
4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
CID 63870153
3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide
CID 63827191
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
4-bromo-N-cyclopentyloxybenzenesulfonamide
CID 83229066
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571108

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide (CID 61061043) is 4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide is O=S(=O)(NCCOC1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide?
The InChIKey is XWNMYKLSLQIFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c15-12-6-8-14(9-7-12)20(17,18)16-10-11-19-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-11H2.
What are the key properties of 4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide?
4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide has a molecular weight of 362.29 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide is sourced from PubChem (CID 61061043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).