5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C14H15BrN2O3S — CID 25048330

IUPAC5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C14H15BrN2O3S/c1-20-13-6-5-11(15)10-14(13)21(18,19)17-9-7-12-4-2-3-8-16-12/h2-6,8,10,17H,7,9H2,1H3
InChIKeyOGRLSLHKPIAOGU-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.37
Rot. Bonds6

About 5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide

5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 25048330) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID25048330
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C14H15BrN2O3S/c1-20-13-6-5-11(15)10-14(13)21(18,19)17-9-7-12-4-2-3-8-16-12/h2-6,8,10,17H,7,9H2,1H3
InChIKeyOGRLSLHKPIAOGU-UHFFFAOYSA-N
XLogP2.37
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 116528063
5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 9301756
5-bromo-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 103744455
5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 3746979
5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113237489
5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 29273557
4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 51330572
5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 28717822
5-bromo-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63331083
5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 57430233
2-chloro-4-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 32673521
2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 5181856

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 25048330) is 5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCCc1ccccn1.
What is the InChIKey of 5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is OGRLSLHKPIAOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-20-13-6-5-11(15)10-14(13)21(18,19)17-9-7-12-4-2-3-8-16-12/h2-6,8,10,17H,7,9H2,1H3.
What are the key properties of 5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 25048330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).