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

C14H20BrNO3S — CID 61059255

IUPAC2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOC1CCCCC1)c1ccccc1Br
InChIInChI=1S/C14H20BrNO3S/c15-13-8-4-5-9-14(13)20(17,18)16-10-11-19-12-6-2-1-3-7-12/h4-5,8-9,12,16H,1-3,6-7,10-11H2
InChIKeyGFPOULMGSKZSTO-UHFFFAOYSA-N
MW362.29 g/mol
LogP3.08
Rot. Bonds6

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

2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide (PubChem CID 61059255) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
PubChem CID61059255
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOC1CCCCC1)c1ccccc1Br
InChIInChI=1S/C14H20BrNO3S/c15-13-8-4-5-9-14(13)20(17,18)16-10-11-19-12-6-2-1-3-7-12/h4-5,8-9,12,16H,1-3,6-7,10-11H2
InChIKeyGFPOULMGSKZSTO-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

4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 63824064
2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 61059078
N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137
4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61061043
2-bromo-N-(2-cyclohexyloxyethyl)aniline
CID 55088144
2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide
CID 55100980
N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline
CID 63826664
N-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide
CID 26541449
5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide
CID 63823533
5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide
CID 65022454
2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide
CID 114171204
1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide
CID 86972438

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide (CID 61059255) is 2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide is O=S(=O)(NCCOC1CCCCC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide?
The InChIKey is GFPOULMGSKZSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c15-13-8-4-5-9-14(13)20(17,18)16-10-11-19-12-6-2-1-3-7-12/h4-5,8-9,12,16H,1-3,6-7,10-11H2.
What are the key properties of 2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide?
2-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 2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide is sourced from PubChem (CID 61059255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).