trans-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-sulfonyl chloride

C9H8BrClO2S — CID 98672118

IUPACtrans-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)[C@@H]1C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C9H8BrClO2S/c10-7-3-1-6(2-4-7)8-5-9(8)14(11,12)13/h1-4,8-9H,5H2/t8-,9+/m0/s1
InChIKeyGYSFDMJYKUFIMQ-DTWKUNHWSA-N
MW295.59 g/mol
LogP2.87
Rot. Bonds2

About trans-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-sulfonyl chloride

trans-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-sulfonyl chloride (PubChem CID 98672118) has the molecular formula C9H8BrClO2S and a molecular weight of 295.59 g/mol. Its IUPAC name is trans-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-sulfonyl chloride
PubChem CID98672118
Molecular FormulaC9H8BrClO2S
Molecular Weight295.59 g/mol
Exact Mass293.91
IUPAC Nametrans-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)[C@@H]1C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C9H8BrClO2S/c10-7-3-1-6(2-4-7)8-5-9(8)14(11,12)13/h1-4,8-9H,5H2/t8-,9+/m0/s1
InChIKeyGYSFDMJYKUFIMQ-DTWKUNHWSA-N
XLogP2.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.59
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of trans-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-sulfonyl chloride (CID 98672118) is trans-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for trans-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for trans-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-sulfonyl chloride is O=S(=O)(Cl)[C@@H]1C[C@H]1c1ccc(Br)cc1.
What is the InChIKey of trans-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is GYSFDMJYKUFIMQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H8BrClO2S/c10-7-3-1-6(2-4-7)8-5-9(8)14(11,12)13/h1-4,8-9H,5H2/t8-,9+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-sulfonyl chloride?
trans-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 295.59 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 98672118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).