1-methyl-5-(2-phenylethyl)pyrrole-2-sulfonyl chloride

C13H14ClNO2S — CID 82375166

IUPAC1-methyl-5-(2-phenylethyl)pyrrole-2-sulfonyl chloride
SMILESCn1c(CCc2ccccc2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C13H14ClNO2S/c1-15-12(9-10-13(15)18(14,16)17)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKeyBGHVECALLIXQQO-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.74
Rot. Bonds4

About 1-methyl-5-(2-phenylethyl)pyrrole-2-sulfonyl chloride

1-methyl-5-(2-phenylethyl)pyrrole-2-sulfonyl chloride (PubChem CID 82375166) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is 1-methyl-5-(2-phenylethyl)pyrrole-2-sulfonyl chloride.

Molecular Properties

Compound Name1-methyl-5-(2-phenylethyl)pyrrole-2-sulfonyl chloride
PubChem CID82375166
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC Name1-methyl-5-(2-phenylethyl)pyrrole-2-sulfonyl chloride
SMILESCn1c(CCc2ccccc2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C13H14ClNO2S/c1-15-12(9-10-13(15)18(14,16)17)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKeyBGHVECALLIXQQO-UHFFFAOYSA-N
XLogP2.74
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylethyl)pyrazole-3-sulfonyl chloride
CID 125424430
benzene;2-phenylethylbenzene
CID 18982764
2-methyl-1,5-bis(2-phenylethyl)pyrrole
CID 102088618
3-(3-phenylpropyl)benzenesulfonyl chloride
CID 55128748
2,3,5-trimethyl-6-(2-phenylethyl)cyclohexa-2,5-diene-1,4-dione
CID 57440815
3,5-dimethyl-1-(2-phenylethyl)pyrazole-4-sulfonyl chloride
CID 54929599
1-methyl-2-(2-phenylethyl)quinolin-4-one
CID 165177826
ethane;methane;2-phenylethylbenzene
CID 158652330
hafnium;2-phenylethylbenzene
CID 173109801
1-benzyl-5-(2-phenylethyl)pyrrole-2-carbaldehyde
CID 100793435
2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole
CID 71396512
4-phenylbutane-1-sulfonyl chloride
CID 13237419

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-phenylethyl)pyrrole-2-sulfonyl chloride?
The IUPAC name of 1-methyl-5-(2-phenylethyl)pyrrole-2-sulfonyl chloride (CID 82375166) is 1-methyl-5-(2-phenylethyl)pyrrole-2-sulfonyl chloride.
What is the SMILES notation for 1-methyl-5-(2-phenylethyl)pyrrole-2-sulfonyl chloride?
The canonical SMILES for 1-methyl-5-(2-phenylethyl)pyrrole-2-sulfonyl chloride is Cn1c(CCc2ccccc2)ccc1S(=O)(=O)Cl.
What is the InChIKey of 1-methyl-5-(2-phenylethyl)pyrrole-2-sulfonyl chloride?
The InChIKey is BGHVECALLIXQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S/c1-15-12(9-10-13(15)18(14,16)17)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 1-methyl-5-(2-phenylethyl)pyrrole-2-sulfonyl chloride?
1-methyl-5-(2-phenylethyl)pyrrole-2-sulfonyl chloride has a molecular weight of 283.78 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-phenylethyl)pyrrole-2-sulfonyl chloride is sourced from PubChem (CID 82375166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).