5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride

C14H13BrClNO3S — CID 82911733

IUPAC5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
SMILESCc1cc(Br)cc(S(=O)(=O)Cl)c1OCCc1ccccn1
InChIInChI=1S/C14H13BrClNO3S/c1-10-8-11(15)9-13(21(16,18)19)14(10)20-7-5-12-4-2-3-6-17-12/h2-4,6,8-9H,5,7H2,1H3
InChIKeyIKQIKMSDZZHSKO-UHFFFAOYSA-N
MW390.69 g/mol
LogP3.70
Rot. Bonds5

About 5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride

5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride (PubChem CID 82911733) has the molecular formula C14H13BrClNO3S and a molecular weight of 390.69 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
PubChem CID82911733
Molecular FormulaC14H13BrClNO3S
Molecular Weight390.69 g/mol
Exact Mass388.95
IUPAC Name5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
SMILESCc1cc(Br)cc(S(=O)(=O)Cl)c1OCCc1ccccn1
InChIInChI=1S/C14H13BrClNO3S/c1-10-8-11(15)9-13(21(16,18)19)14(10)20-7-5-12-4-2-3-6-17-12/h2-4,6,8-9H,5,7H2,1H3
InChIKeyIKQIKMSDZZHSKO-UHFFFAOYSA-N
XLogP3.70
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine
CID 112621371
[5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol
CID 112620933
2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912749
5-bromo-3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527410
2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82911972
5-bromo-2-ethoxy-3-methylbenzenesulfonyl chloride
CID 63216576
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912390
2-(3-amino-3-oxopropoxy)-5-bromo-3-methylbenzenesulfonyl chloride
CID 82921454
5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride
CID 63216758
5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82909517
2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82911549
5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 63216968

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride (CID 82911733) is 5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride is Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCCc1ccccn1.
What is the InChIKey of 5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
The InChIKey is IKQIKMSDZZHSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO3S/c1-10-8-11(15)9-13(21(16,18)19)14(10)20-7-5-12-4-2-3-6-17-12/h2-4,6,8-9H,5,7H2,1H3.
What are the key properties of 5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride has a molecular weight of 390.69 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82911733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).