3-bromo-4-(3-phenylpropoxy)benzenesulfonamide

C15H16BrNO3S — CID 43342283

IUPAC3-bromo-4-(3-phenylpropoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCCc2ccccc2)c(Br)c1
InChIInChI=1S/C15H16BrNO3S/c16-14-11-13(21(17,18)19)8-9-15(14)20-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H2,17,18,19)
InChIKeyKQCPAVKMEDDXEW-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.11
Rot. Bonds6

About 3-bromo-4-(3-phenylpropoxy)benzenesulfonamide

3-bromo-4-(3-phenylpropoxy)benzenesulfonamide (PubChem CID 43342283) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is 3-bromo-4-(3-phenylpropoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-(3-phenylpropoxy)benzenesulfonamide
PubChem CID43342283
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC Name3-bromo-4-(3-phenylpropoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCCc2ccccc2)c(Br)c1
InChIInChI=1S/C15H16BrNO3S/c16-14-11-13(21(17,18)19)8-9-15(14)20-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H2,17,18,19)
InChIKeyKQCPAVKMEDDXEW-UHFFFAOYSA-N
XLogP3.11
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.11
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

3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82921694
3-bromo-4-nonoxybenzenesulfonamide
CID 43342292
3-(2-bromo-4-sulfamoylphenoxy)propanoic acid
CID 43164341
[3-bromo-4-(3-phenylpropoxy)phenyl]methanol
CID 63051637
3-bromo-4-(3-phenylpropoxy)benzohydrazide
CID 54793160
3-bromo-4-hept-6-enoxybenzenesulfonamide
CID 107007678
2-(2-bromo-4-sulfamoylphenoxy)acetic acid
CID 43164345
3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide
CID 43342289
3-bromo-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 82921916
[3-bromo-4-(4-phenylbutoxy)phenyl]methanol
CID 114333931
3-bromo-4-(5-phenylpentoxy)benzaldehyde
CID 87319543
[3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride
CID 139210923

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3-phenylpropoxy)benzenesulfonamide?
The IUPAC name of 3-bromo-4-(3-phenylpropoxy)benzenesulfonamide (CID 43342283) is 3-bromo-4-(3-phenylpropoxy)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-(3-phenylpropoxy)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-(3-phenylpropoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(OCCCc2ccccc2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(3-phenylpropoxy)benzenesulfonamide?
The InChIKey is KQCPAVKMEDDXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c16-14-11-13(21(17,18)19)8-9-15(14)20-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H2,17,18,19).
What are the key properties of 3-bromo-4-(3-phenylpropoxy)benzenesulfonamide?
3-bromo-4-(3-phenylpropoxy)benzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3-phenylpropoxy)benzenesulfonamide is sourced from PubChem (CID 43342283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).