(3S)-3-(3-methoxyphenyl)sulfonyl-2,3-dihydro-1H-pyrrole

C11H13NO3S — CID 124578461

IUPAC(3S)-3-(3-methoxyphenyl)sulfonyl-2,3-dihydro-1H-pyrrole
SMILESCOc1cccc(S(=O)(=O)[C@H]2C=CNC2)c1
InChIInChI=1S/C11H13NO3S/c1-15-9-3-2-4-10(7-9)16(13,14)11-5-6-12-8-11/h2-7,11-12H,8H2,1H3/t11-/m0/s1
InChIKeyWNRXYEXMOJJCEP-NSHDSACASA-N
MW239.30 g/mol
LogP0.95
Rot. Bonds3

About (3S)-3-(3-methoxyphenyl)sulfonyl-2,3-dihydro-1H-pyrrole

(3S)-3-(3-methoxyphenyl)sulfonyl-2,3-dihydro-1H-pyrrole (PubChem CID 124578461) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is (3S)-3-(3-methoxyphenyl)sulfonyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name(3S)-3-(3-methoxyphenyl)sulfonyl-2,3-dihydro-1H-pyrrole
PubChem CID124578461
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name(3S)-3-(3-methoxyphenyl)sulfonyl-2,3-dihydro-1H-pyrrole
SMILESCOc1cccc(S(=O)(=O)[C@H]2C=CNC2)c1
InChIInChI=1S/C11H13NO3S/c1-15-9-3-2-4-10(7-9)16(13,14)11-5-6-12-8-11/h2-7,11-12H,8H2,1H3/t11-/m0/s1
InChIKeyWNRXYEXMOJJCEP-NSHDSACASA-N
XLogP0.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 14763060
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CID 141115301
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CID 59280617
imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane
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CID 79848176
3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one
CID 46507902
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
N-diazo-3-methoxybenzenesulfonamide
CID 81259171
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
N-ethyl-2-(3-methoxyphenyl)sulfonylcycloheptan-1-amine
CID 64644761
but-2-ene;3-methoxybenzenesulfonic acid
CID 175366995

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methoxyphenyl)sulfonyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of (3S)-3-(3-methoxyphenyl)sulfonyl-2,3-dihydro-1H-pyrrole (CID 124578461) is (3S)-3-(3-methoxyphenyl)sulfonyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for (3S)-3-(3-methoxyphenyl)sulfonyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for (3S)-3-(3-methoxyphenyl)sulfonyl-2,3-dihydro-1H-pyrrole is COc1cccc(S(=O)(=O)[C@H]2C=CNC2)c1.
What is the InChIKey of (3S)-3-(3-methoxyphenyl)sulfonyl-2,3-dihydro-1H-pyrrole?
The InChIKey is WNRXYEXMOJJCEP-NSHDSACASA-N. The full InChI is InChI=1S/C11H13NO3S/c1-15-9-3-2-4-10(7-9)16(13,14)11-5-6-12-8-11/h2-7,11-12H,8H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-3-(3-methoxyphenyl)sulfonyl-2,3-dihydro-1H-pyrrole?
(3S)-3-(3-methoxyphenyl)sulfonyl-2,3-dihydro-1H-pyrrole has a molecular weight of 239.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methoxyphenyl)sulfonyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 124578461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).