N-(2-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide

C14H18BrNO3S — CID 2893758

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1Br
InChIInChI=1S/C14H18BrNO3S/c1-19-14-5-4-11(8-12(14)15)20(17,18)16-13-7-9-2-3-10(13)6-9/h4-5,8-10,13,16H,2-3,6-7H2,1H3
InChIKeyJRVCVQJAFKBAPN-UHFFFAOYSA-N
MW360.27 g/mol
LogP2.92
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide

N-(2-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide (PubChem CID 2893758) has the molecular formula C14H18BrNO3S and a molecular weight of 360.27 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide
PubChem CID2893758
Molecular FormulaC14H18BrNO3S
Molecular Weight360.27 g/mol
Exact Mass359.02
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1Br
InChIInChI=1S/C14H18BrNO3S/c1-19-14-5-4-11(8-12(14)15)20(17,18)16-13-7-9-2-3-10(13)6-9/h4-5,8-10,13,16H,2-3,6-7H2,1H3
InChIKeyJRVCVQJAFKBAPN-UHFFFAOYSA-N
XLogP2.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-bicyclo[2.2.1]hept-2-yl-4-methoxybenzenesulfonamide
CID 2900004
N-benzyl-3-bromo-4-methoxybenzenesulfonamide
CID 1120507
3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide
CID 765790
3-bromo-N-cycloheptyl-4-methoxybenzenesulfonamide
CID 1306808
3-bromo-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-methoxybenzenesulfonamide
CID 1319888
3-bromo-4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 2880667
3-bromo-N-[3-(4-fluorophenyl)propyl]-4-methoxybenzenesulfonamide
CID 17640748
3-bromo-4-methoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 24651392
3-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 36110845
3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 39749873
N-(bicyclo[2.2.1]hept-2-yl)-5-fluoro-2-methoxybenzenesulfonamide
CID 53278388
N-(2-bicyclo[2.2.1]heptanyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 53283789

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide (CID 2893758) is N-(2-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1Br.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide?
The InChIKey is JRVCVQJAFKBAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3S/c1-19-14-5-4-11(8-12(14)15)20(17,18)16-13-7-9-2-3-10(13)6-9/h4-5,8-10,13,16H,2-3,6-7H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide?
N-(2-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide has a molecular weight of 360.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide is sourced from PubChem (CID 2893758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).