trans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide

C9H11NO2S — CID 68572736

IUPACtrans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide
SMILESNS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C9H11NO2S/c10-13(11,12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H2,10,11,12)/t8-,9+/m0/s1
InChIKeyXNACGRLKLDYUKR-DTWKUNHWSA-N
MW197.26 g/mol
LogP0.83
Rot. Bonds2

About trans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide

trans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide (PubChem CID 68572736) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is trans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide.

Molecular Properties

Compound Nametrans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide
PubChem CID68572736
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Nametrans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide
SMILESNS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C9H11NO2S/c10-13(11,12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H2,10,11,12)/t8-,9+/m0/s1
InChIKeyXNACGRLKLDYUKR-DTWKUNHWSA-N
XLogP0.83
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide?
The IUPAC name of trans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide (CID 68572736) is trans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide.
What is the SMILES notation for trans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide?
The canonical SMILES for trans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide is NS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide?
The InChIKey is XNACGRLKLDYUKR-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H11NO2S/c10-13(11,12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H2,10,11,12)/t8-,9+/m0/s1.
What are the key properties of trans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide?
trans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide has a molecular weight of 197.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide is sourced from PubChem (CID 68572736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).