2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

C15H17BrN2O3S — CID 121085252

IUPAC2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCOCCN(Cc1ccncc1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H17BrN2O3S/c1-21-11-10-18(12-13-6-8-17-9-7-13)22(19,20)15-5-3-2-4-14(15)16/h2-9H,10-12H2,1H3
InChIKeyWIBPLVUDNDURGN-UHFFFAOYSA-N
MW385.28 g/mol
LogP2.68
Rot. Bonds7

About 2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 121085252) has the molecular formula C15H17BrN2O3S and a molecular weight of 385.28 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID121085252
Molecular FormulaC15H17BrN2O3S
Molecular Weight385.28 g/mol
Exact Mass384.01
IUPAC Name2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCOCCN(Cc1ccncc1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H17BrN2O3S/c1-21-11-10-18(12-13-6-8-17-9-7-13)22(19,20)15-5-3-2-4-14(15)16/h2-9H,10-12H2,1H3
InChIKeyWIBPLVUDNDURGN-UHFFFAOYSA-N
XLogP2.68
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 113468348
N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide
CID 80676433
N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
CID 120664411
4-methoxy-N-(2-methoxyethyl)-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 52906847
N-(furan-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 90582774
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61125699
N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide
CID 120664143
2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937
2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61139950
4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 116528266
N'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 63287766

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 121085252) is 2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is COCCN(Cc1ccncc1)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is WIBPLVUDNDURGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3S/c1-21-11-10-18(12-13-6-8-17-9-7-13)22(19,20)15-5-3-2-4-14(15)16/h2-9H,10-12H2,1H3.
What are the key properties of 2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 385.28 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 121085252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).