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

C9H8Cl2O2S — CID 98672056

IUPACtrans-(1R,2S)-2-(4-chlorophenyl)cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C9H8Cl2O2S/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
InChIKeyXGFGKRNDVYKPTH-DTWKUNHWSA-N
MW251.13 g/mol
LogP2.76
Rot. Bonds2

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

trans-(1R,2S)-2-(4-chlorophenyl)cyclopropane-1-sulfonyl chloride (PubChem CID 98672056) has the molecular formula C9H8Cl2O2S and a molecular weight of 251.13 g/mol. Its IUPAC name is trans-(1R,2S)-2-(4-chlorophenyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(4-chlorophenyl)cyclopropane-1-sulfonyl chloride
PubChem CID98672056
Molecular FormulaC9H8Cl2O2S
Molecular Weight251.13 g/mol
Exact Mass249.96
IUPAC Nametrans-(1R,2S)-2-(4-chlorophenyl)cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C9H8Cl2O2S/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
InChIKeyXGFGKRNDVYKPTH-DTWKUNHWSA-N
XLogP2.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-3-methylphenyl)cyclopropane-1-sulfonyl chloride
CID 164657168
trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine
CID 39236206
1-chloro-4-(2-phenylcyclopropyl)benzene
CID 5162571
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
N-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]propane-2-sulfonamide
CID 59458340
carbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene
CID 88785384
trans-(1R,2S)-2-phenylcyclobutane-1-sulfonyl chloride
CID 155978186
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene
CID 102548747
2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 23027092
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 88976035

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(4-chlorophenyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of trans-(1R,2S)-2-(4-chlorophenyl)cyclopropane-1-sulfonyl chloride (CID 98672056) is trans-(1R,2S)-2-(4-chlorophenyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for trans-(1R,2S)-2-(4-chlorophenyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for trans-(1R,2S)-2-(4-chlorophenyl)cyclopropane-1-sulfonyl chloride is O=S(=O)(Cl)[C@@H]1C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of trans-(1R,2S)-2-(4-chlorophenyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is XGFGKRNDVYKPTH-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H8Cl2O2S/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-chlorophenyl)cyclopropane-1-sulfonyl chloride?
trans-(1R,2S)-2-(4-chlorophenyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 251.13 g/mol, XLogP of 2.76, 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-chlorophenyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 98672056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).