7-bromo-1,3-benzoxazole-2-sulfonyl chloride

C7H3BrClNO3S — CID 130925383

IUPAC7-bromo-1,3-benzoxazole-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc2cccc(Br)c2o1
InChIInChI=1S/C7H3BrClNO3S/c8-4-2-1-3-5-6(4)13-7(10-5)14(9,11)12/h1-3H
InChIKeyNLCXCAFKZUPNTI-UHFFFAOYSA-N
MW296.53 g/mol
LogP2.52
Rot. Bonds1

About 7-bromo-1,3-benzoxazole-2-sulfonyl chloride

7-bromo-1,3-benzoxazole-2-sulfonyl chloride (PubChem CID 130925383) has the molecular formula C7H3BrClNO3S and a molecular weight of 296.53 g/mol. Its IUPAC name is 7-bromo-1,3-benzoxazole-2-sulfonyl chloride.

Molecular Properties

Compound Name7-bromo-1,3-benzoxazole-2-sulfonyl chloride
PubChem CID130925383
Molecular FormulaC7H3BrClNO3S
Molecular Weight296.53 g/mol
Exact Mass294.87
IUPAC Name7-bromo-1,3-benzoxazole-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc2cccc(Br)c2o1
InChIInChI=1S/C7H3BrClNO3S/c8-4-2-1-3-5-6(4)13-7(10-5)14(9,11)12/h1-3H
InChIKeyNLCXCAFKZUPNTI-UHFFFAOYSA-N
XLogP2.52
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-iodo-1,3-benzoxazole-2-sulfonyl chloride
CID 130952660
7-(hydroxymethyl)-1,3-benzoxazole-2-sulfonyl chloride
CID 131278873
7-bromo-2-fluoro-1,3-benzoxazole
CID 131072299
7-bromo-1,3-benzoxazole-2-carbaldehyde
CID 53408473
2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine
CID 81494751
potassium 7-bromo-1,3-benzoxazole-2-carboxylate
CID 162763817
7-bromo-2-(difluoromethyl)-1,3-benzoxazole
CID 131119022
2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid
CID 83866963
7-bromo-2-methylcyclohepta[d][1,3]oxazol-8-one
CID 14042916
2-propan-2-yl-1,3-benzoxazole-7-sulfonyl chloride
CID 83825760
ethyl 7-bromo-1,3-benzoxazole-2-carboxylate
CID 130133419
3-(7-bromo-1,3-benzoxazol-2-yl)-2-methylbutanoic acid
CID 103500360

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,3-benzoxazole-2-sulfonyl chloride?
The IUPAC name of 7-bromo-1,3-benzoxazole-2-sulfonyl chloride (CID 130925383) is 7-bromo-1,3-benzoxazole-2-sulfonyl chloride.
What is the SMILES notation for 7-bromo-1,3-benzoxazole-2-sulfonyl chloride?
The canonical SMILES for 7-bromo-1,3-benzoxazole-2-sulfonyl chloride is O=S(=O)(Cl)c1nc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-1,3-benzoxazole-2-sulfonyl chloride?
The InChIKey is NLCXCAFKZUPNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClNO3S/c8-4-2-1-3-5-6(4)13-7(10-5)14(9,11)12/h1-3H.
What are the key properties of 7-bromo-1,3-benzoxazole-2-sulfonyl chloride?
7-bromo-1,3-benzoxazole-2-sulfonyl chloride has a molecular weight of 296.53 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,3-benzoxazole-2-sulfonyl chloride is sourced from PubChem (CID 130925383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).