3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide

C13H13BrN2O3S — CID 47310443

IUPAC3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide
SMILESCCOc1ncccc1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O3S/c1-2-19-13-12(7-4-8-15-13)16-20(17,18)11-6-3-5-10(14)9-11/h3-9,16H,2H2,1H3
InChIKeyDNAKXJZYHSJVBA-UHFFFAOYSA-N
MW357.23 g/mol
LogP3.04
Rot. Bonds5

About 3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide

3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 47310443) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is 3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide
PubChem CID47310443
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC Name3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide
SMILESCCOc1ncccc1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O3S/c1-2-19-13-12(7-4-8-15-13)16-20(17,18)11-6-3-5-10(14)9-11/h3-9,16H,2H2,1H3
InChIKeyDNAKXJZYHSJVBA-UHFFFAOYSA-N
XLogP3.04
TPSA68.29 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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide
CID 61217643
2-ethoxy-3-(sulfamoylamino)pyridine
CID 112573255
3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 63422726
4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
CID 47038316
2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide
CID 114371185
5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide
CID 34958257
3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 24540494
N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide
CID 113267836
2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652356
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739
3-bromo-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
CID 25358861
2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid
CID 62534954

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide (CID 47310443) is 3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide is CCOc1ncccc1NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is DNAKXJZYHSJVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c1-2-19-13-12(7-4-8-15-13)16-20(17,18)11-6-3-5-10(14)9-11/h3-9,16H,2H2,1H3.
What are the key properties of 3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide?
3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide has a molecular weight of 357.23 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 47310443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).