2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride

C10H9ClFNO3S — CID 87289865

IUPAC2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
SMILESO=C1CCCN1c1cccc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C10H9ClFNO3S/c11-17(15,16)8-4-1-3-7(10(8)12)13-6-2-5-9(13)14/h1,3-4H,2,5-6H2
InChIKeyYHLTZYXCBVEQCM-UHFFFAOYSA-N
MW277.70 g/mol
LogP1.88
Rot. Bonds2

About 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride

2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride (PubChem CID 87289865) has the molecular formula C10H9ClFNO3S and a molecular weight of 277.70 g/mol. Its IUPAC name is 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
PubChem CID87289865
Molecular FormulaC10H9ClFNO3S
Molecular Weight277.70 g/mol
Exact Mass277.00
IUPAC Name2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
SMILESO=C1CCCN1c1cccc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C10H9ClFNO3S/c11-17(15,16)8-4-1-3-7(10(8)12)13-6-2-5-9(13)14/h1,3-4H,2,5-6H2
InChIKeyYHLTZYXCBVEQCM-UHFFFAOYSA-N
XLogP1.88
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one
CID 67155260
2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid
CID 22252981
1-(2,3-difluorophenyl)azepan-2-one
CID 141144880
1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one
CID 166609167
(2S)-2-[[2-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 68628691
1-(3-iodo-2-methylphenyl)pyrrolidin-2-one
CID 130498002
1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
2-fluoro-6-(2-oxopyrrolidin-1-yl)benzenecarbothioamide
CID 43581062
2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841824
2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
CID 16642641
1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one
CID 70514699

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride?
The IUPAC name of 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride (CID 87289865) is 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride is O=C1CCCN1c1cccc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride?
The InChIKey is YHLTZYXCBVEQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO3S/c11-17(15,16)8-4-1-3-7(10(8)12)13-6-2-5-9(13)14/h1,3-4H,2,5-6H2.
What are the key properties of 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride?
2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride has a molecular weight of 277.70 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride is sourced from PubChem (CID 87289865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).