2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride

C12H7ClN2O3S — CID 82358057

IUPAC2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2nc(-c3ccncc3)oc2c1
InChIInChI=1S/C12H7ClN2O3S/c13-19(16,17)9-1-2-10-11(7-9)18-12(15-10)8-3-5-14-6-4-8/h1-7H
InChIKeyISEWPIYESZHLSG-UHFFFAOYSA-N
MW294.72 g/mol
LogP2.82
Rot. Bonds2

About 2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride

2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride (PubChem CID 82358057) has the molecular formula C12H7ClN2O3S and a molecular weight of 294.72 g/mol. Its IUPAC name is 2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride.

Molecular Properties

Compound Name2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride
PubChem CID82358057
Molecular FormulaC12H7ClN2O3S
Molecular Weight294.72 g/mol
Exact Mass293.99
IUPAC Name2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2nc(-c3ccncc3)oc2c1
InChIInChI=1S/C12H7ClN2O3S/c13-19(16,17)9-1-2-10-11(7-9)18-12(15-10)8-3-5-14-6-4-8/h1-7H
InChIKeyISEWPIYESZHLSG-UHFFFAOYSA-N
XLogP2.82
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-1,3-benzoxazole-6-sulfonyl chloride
CID 82358054
2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride
CID 82358041
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
2-acetyl-1,3-benzoxazole-6-sulfonyl chloride
CID 131464668
4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol
CID 142716097
2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole
CID 141112908
2-(2-methylpropyl)-1,3-benzoxazole-6-sulfonyl chloride
CID 82358036
N-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine
CID 82357586
5-chloro-2-pyridin-4-yl-6-(trifluoromethyl)-1,3-benzoxazole
CID 66880218
2-butyl-1,3-benzoxazole-6-sulfonyl chloride
CID 82358031
2-pyridin-4-yl-1,3-benzoxazol-5-amine
CID 736009
dibenzofuran-3,7-disulfonyl chloride
CID 154087525

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride?
The IUPAC name of 2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride (CID 82358057) is 2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride.
What is the SMILES notation for 2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride?
The canonical SMILES for 2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride is O=S(=O)(Cl)c1ccc2nc(-c3ccncc3)oc2c1.
What is the InChIKey of 2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride?
The InChIKey is ISEWPIYESZHLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O3S/c13-19(16,17)9-1-2-10-11(7-9)18-12(15-10)8-3-5-14-6-4-8/h1-7H.
What are the key properties of 2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride?
2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride has a molecular weight of 294.72 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride is sourced from PubChem (CID 82358057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).