trans-(1R,2S)-2-phenylcyclobutane-1-sulfonyl chloride

C10H11ClO2S — CID 155978186

IUPACtrans-(1R,2S)-2-phenylcyclobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)[C@@H]1CC[C@H]1c1ccccc1
InChIInChI=1S/C10H11ClO2S/c11-14(12,13)10-7-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10+/m0/s1
InChIKeyNNWYEKWZEAJVHY-VHSXEESVSA-N
MW230.72 g/mol
LogP2.50
Rot. Bonds2

About trans-(1R,2S)-2-phenylcyclobutane-1-sulfonyl chloride

trans-(1R,2S)-2-phenylcyclobutane-1-sulfonyl chloride (PubChem CID 155978186) has the molecular formula C10H11ClO2S and a molecular weight of 230.72 g/mol. Its IUPAC name is trans-(1R,2S)-2-phenylcyclobutane-1-sulfonyl chloride.

Molecular Properties

Compound Nametrans-(1R,2S)-2-phenylcyclobutane-1-sulfonyl chloride
PubChem CID155978186
Molecular FormulaC10H11ClO2S
Molecular Weight230.72 g/mol
Exact Mass230.02
IUPAC Nametrans-(1R,2S)-2-phenylcyclobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)[C@@H]1CC[C@H]1c1ccccc1
InChIInChI=1S/C10H11ClO2S/c11-14(12,13)10-7-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10+/m0/s1
InChIKeyNNWYEKWZEAJVHY-VHSXEESVSA-N
XLogP2.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2S)-2-phenylcyclobutane-1-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenylpyrazolidine-4-sulfonyl chloride
CID 76899642
(2-methylsulfonylcyclopropyl)benzene
CID 89149052
trans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide
CID 68572736
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
[4-(2-phenylcyclobutyl)phenyl] hydrogen sulfate
CID 131838290
2-(2-phenylcyclopropyl)sulfonylacetic acid
CID 116516571
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
(3aR,4S,7S,7aS)-2,4,7-triphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100871293
trans-(4R,5R)-4,5-diphenylcycloheptan-1-one
CID 58293688
(3aR,4S,7R,7aR)-2-(4-chlorophenyl)-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11900144
(3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 11252672

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-phenylcyclobutane-1-sulfonyl chloride?
The IUPAC name of trans-(1R,2S)-2-phenylcyclobutane-1-sulfonyl chloride (CID 155978186) is trans-(1R,2S)-2-phenylcyclobutane-1-sulfonyl chloride.
What is the SMILES notation for trans-(1R,2S)-2-phenylcyclobutane-1-sulfonyl chloride?
The canonical SMILES for trans-(1R,2S)-2-phenylcyclobutane-1-sulfonyl chloride is O=S(=O)(Cl)[C@@H]1CC[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2S)-2-phenylcyclobutane-1-sulfonyl chloride?
The InChIKey is NNWYEKWZEAJVHY-VHSXEESVSA-N. The full InChI is InChI=1S/C10H11ClO2S/c11-14(12,13)10-7-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10+/m0/s1.
What are the key properties of trans-(1R,2S)-2-phenylcyclobutane-1-sulfonyl chloride?
trans-(1R,2S)-2-phenylcyclobutane-1-sulfonyl chloride has a molecular weight of 230.72 g/mol, XLogP of 2.50, 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-phenylcyclobutane-1-sulfonyl chloride is sourced from PubChem (CID 155978186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).