2-(4-bromothiophen-3-yl)-4-oxoazetidine-1-sulfonyl chloride

C7H5BrClNO3S2 — CID 130525065

IUPAC2-(4-bromothiophen-3-yl)-4-oxoazetidine-1-sulfonyl chloride
SMILESO=C1CC(c2cscc2Br)N1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrClNO3S2/c8-5-3-14-2-4(5)6-1-7(11)10(6)15(9,12)13/h2-3,6H,1H2
InChIKeySUPXCEABLOVKGG-UHFFFAOYSA-N
MW330.61 g/mol
LogP2.27
Rot. Bonds2

About 2-(4-bromothiophen-3-yl)-4-oxoazetidine-1-sulfonyl chloride

2-(4-bromothiophen-3-yl)-4-oxoazetidine-1-sulfonyl chloride (PubChem CID 130525065) has the molecular formula C7H5BrClNO3S2 and a molecular weight of 330.61 g/mol. Its IUPAC name is 2-(4-bromothiophen-3-yl)-4-oxoazetidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(4-bromothiophen-3-yl)-4-oxoazetidine-1-sulfonyl chloride
PubChem CID130525065
Molecular FormulaC7H5BrClNO3S2
Molecular Weight330.61 g/mol
Exact Mass328.86
IUPAC Name2-(4-bromothiophen-3-yl)-4-oxoazetidine-1-sulfonyl chloride
SMILESO=C1CC(c2cscc2Br)N1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrClNO3S2/c8-5-3-14-2-4(5)6-1-7(11)10(6)15(9,12)13/h2-3,6H,1H2
InChIKeySUPXCEABLOVKGG-UHFFFAOYSA-N
XLogP2.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-5-chlorophenyl)-4-oxoazetidine-1-sulfonyl chloride
CID 66158070
2-oxo-4-(2,3,4-trimethoxyphenyl)azetidine-1-sulfonyl chloride
CID 64664070
2-(5-methyl-2-pyridinyl)-4-oxoazetidine-1-sulfonyl chloride
CID 81319842
2-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride
CID 66352502
2-(3,4-difluorophenyl)-4-oxoazetidine-1-sulfonyl chloride
CID 64665342
2-(3,5-dimethoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride
CID 64664060
3-(4-bromothiophen-3-yl)cyclohexan-1-one
CID 79602090
2-oxo-4-(4-propylphenyl)azetidine-1-sulfonyl chloride
CID 66352278
tert-butyl 3-(4-bromothiophen-3-yl)azetidine-1-carboxylate
CID 168982301
2-oxo-4-(2-phenylethyl)azetidine-1-sulfonyl chloride
CID 64665968
11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride
CID 131871983
[2-(4-bromothiophen-3-yl)cyclopentyl]methanamine
CID 81010011

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-3-yl)-4-oxoazetidine-1-sulfonyl chloride?
The IUPAC name of 2-(4-bromothiophen-3-yl)-4-oxoazetidine-1-sulfonyl chloride (CID 130525065) is 2-(4-bromothiophen-3-yl)-4-oxoazetidine-1-sulfonyl chloride.
What is the SMILES notation for 2-(4-bromothiophen-3-yl)-4-oxoazetidine-1-sulfonyl chloride?
The canonical SMILES for 2-(4-bromothiophen-3-yl)-4-oxoazetidine-1-sulfonyl chloride is O=C1CC(c2cscc2Br)N1S(=O)(=O)Cl.
What is the InChIKey of 2-(4-bromothiophen-3-yl)-4-oxoazetidine-1-sulfonyl chloride?
The InChIKey is SUPXCEABLOVKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO3S2/c8-5-3-14-2-4(5)6-1-7(11)10(6)15(9,12)13/h2-3,6H,1H2.
What are the key properties of 2-(4-bromothiophen-3-yl)-4-oxoazetidine-1-sulfonyl chloride?
2-(4-bromothiophen-3-yl)-4-oxoazetidine-1-sulfonyl chloride has a molecular weight of 330.61 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-3-yl)-4-oxoazetidine-1-sulfonyl chloride is sourced from PubChem (CID 130525065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).