3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide

C13H13BrN2O3S — CID 82921694

IUPAC3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCc2ccccn2)c(Br)c1
InChIInChI=1S/C13H13BrN2O3S/c14-12-9-11(20(15,17)18)4-5-13(12)19-8-6-10-3-1-2-7-16-10/h1-5,7,9H,6,8H2,(H2,15,17,18)
InChIKeyCRMHHAASWCBJPP-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.11
Rot. Bonds5

About 3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide

3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide (PubChem CID 82921694) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is 3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide
PubChem CID82921694
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC Name3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCc2ccccn2)c(Br)c1
InChIInChI=1S/C13H13BrN2O3S/c14-12-9-11(20(15,17)18)4-5-13(12)19-8-6-10-3-1-2-7-16-10/h1-5,7,9H,6,8H2,(H2,15,17,18)
InChIKeyCRMHHAASWCBJPP-UHFFFAOYSA-N
XLogP2.11
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-(3-phenylpropoxy)benzenesulfonamide
CID 43342283
3-bromo-4-(2-pyridin-2-ylethoxy)benzoic acid
CID 63052810
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine
CID 55148109
5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82914800
3-(2-bromo-4-sulfamoylphenoxy)propanoic acid
CID 43164341
3-bromo-4-nonoxybenzenesulfonamide
CID 43342292
5-methyl-2-(2-pyridin-2-ylethoxy)aniline
CID 22046369
1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine
CID 62911909
3-bromo-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51889739
3-bromo-4-hept-6-enoxybenzenesulfonamide
CID 107007678
5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82909517
2-(2-bromo-4-sulfamoylphenoxy)acetic acid
CID 43164345

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide?
The IUPAC name of 3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide (CID 82921694) is 3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(OCCc2ccccn2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide?
The InChIKey is CRMHHAASWCBJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c14-12-9-11(20(15,17)18)4-5-13(12)19-8-6-10-3-1-2-7-16-10/h1-5,7,9H,6,8H2,(H2,15,17,18).
What are the key properties of 3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide?
3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide has a molecular weight of 357.23 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 82921694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).