4-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride

C12H11ClFNO2S — CID 82375202

IUPAC4-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride
SMILESCc1cc(Cc2c[nH]c(S(=O)(=O)Cl)c2)ccc1F
InChIInChI=1S/C12H11ClFNO2S/c1-8-4-9(2-3-11(8)14)5-10-6-12(15-7-10)18(13,16)17/h2-4,6-7,15H,5H2,1H3
InChIKeyWDLIYOULBHCAFK-UHFFFAOYSA-N
MW287.74 g/mol
LogP2.98
Rot. Bonds3

About 4-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride

4-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride (PubChem CID 82375202) has the molecular formula C12H11ClFNO2S and a molecular weight of 287.74 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride.

Molecular Properties

Compound Name4-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride
PubChem CID82375202
Molecular FormulaC12H11ClFNO2S
Molecular Weight287.74 g/mol
Exact Mass287.02
IUPAC Name4-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride
SMILESCc1cc(Cc2c[nH]c(S(=O)(=O)Cl)c2)ccc1F
InChIInChI=1S/C12H11ClFNO2S/c1-8-4-9(2-3-11(8)14)5-10-6-12(15-7-10)18(13,16)17/h2-4,6-7,15H,5H2,1H3
InChIKeyWDLIYOULBHCAFK-UHFFFAOYSA-N
XLogP2.98
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 62119949
4-[(4-fluoro-3-methylphenyl)methyl]aniline
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6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-sulfonyl chloride
CID 89292808
3-[(4-fluoro-3-methylphenyl)methyl]pyridine
CID 175091377
4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole
CID 125482396
(4-fluoro-3-methylphenyl)sulfonylmethanol
CID 117036683
1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene
CID 139652969
ethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane
CID 135226970
1-fluoro-4-[[4-[4-(4-isocyano-3-methylphenyl)-3-methylphenyl]-3-methylphenyl]methyl]-2-methylbenzene
CID 161268031
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
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CID 134085976

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride?
The IUPAC name of 4-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride (CID 82375202) is 4-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride.
What is the SMILES notation for 4-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride?
The canonical SMILES for 4-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride is Cc1cc(Cc2c[nH]c(S(=O)(=O)Cl)c2)ccc1F.
What is the InChIKey of 4-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride?
The InChIKey is WDLIYOULBHCAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO2S/c1-8-4-9(2-3-11(8)14)5-10-6-12(15-7-10)18(13,16)17/h2-4,6-7,15H,5H2,1H3.
What are the key properties of 4-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride?
4-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride has a molecular weight of 287.74 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride is sourced from PubChem (CID 82375202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).