5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

C14H15BrN2O3S — CID 40665032

IUPAC5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C14H15BrN2O3S/c1-2-20-13-6-5-12(15)8-14(13)21(18,19)17-10-11-4-3-7-16-9-11/h3-9,17H,2,10H2,1H3
InChIKeyVTXJFJNNMFHMFU-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.72
Rot. Bonds6

About 5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 40665032) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID40665032
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C14H15BrN2O3S/c1-2-20-13-6-5-12(15)8-14(13)21(18,19)17-10-11-4-3-7-16-9-11/h3-9,17H,2,10H2,1H3
InChIKeyVTXJFJNNMFHMFU-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 27266270
5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 977109
5-bromo-2-ethoxy-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122443
5-bromo-2-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673071
4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6461722
5-bromo-2-ethoxy-N-(isoquinolin-1-ylmethyl)benzenesulfonamide
CID 17440973
N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 1294409
5-amino-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79961726
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 2561925
5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 16615074
N-benzyl-5-chloro-2-ethoxybenzenesulfonamide
CID 2992012

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 40665032) is 5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)NCc1cccnc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is VTXJFJNNMFHMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-2-20-13-6-5-12(15)8-14(13)21(18,19)17-10-11-4-3-7-16-9-11/h3-9,17H,2,10H2,1H3.
What are the key properties of 5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 40665032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).