2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]acetyl chloride

C17H14ClFO4S — CID 58668691

IUPAC2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]acetyl chloride
SMILESO=C(Cl)CC1CCOc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C17H14ClFO4S/c18-17(20)8-11-6-7-23-16-10-14(4-5-15(11)16)24(21,22)13-3-1-2-12(19)9-13/h1-5,9-11H,6-8H2
InChIKeyCFJNMORPOWAIJK-UHFFFAOYSA-N
MW368.81 g/mol
LogP3.68
Rot. Bonds4

About 2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]acetyl chloride

2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]acetyl chloride (PubChem CID 58668691) has the molecular formula C17H14ClFO4S and a molecular weight of 368.81 g/mol. Its IUPAC name is 2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]acetyl chloride.

Molecular Properties

Compound Name2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]acetyl chloride
PubChem CID58668691
Molecular FormulaC17H14ClFO4S
Molecular Weight368.81 g/mol
Exact Mass368.03
IUPAC Name2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]acetyl chloride
SMILESO=C(Cl)CC1CCOc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C17H14ClFO4S/c18-17(20)8-11-6-7-23-16-10-14(4-5-15(11)16)24(21,22)13-3-1-2-12(19)9-13/h1-5,9-11H,6-8H2
InChIKeyCFJNMORPOWAIJK-UHFFFAOYSA-N
XLogP3.68
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.81
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]acetyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]ethyl]-N-methylpyrrolidin-3-amine
CID 11531816
6-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-4-imino-N-methylhexan-2-amine
CID 174530455
1-[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine
CID 11544229
2-[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 66651542
N-dimethyl-N-pyrrolidin-3-ylboronamidic acid;2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]ethyl methanesulfonate;N-[1-[2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]ethyl]pyrrolidin-3-yl]-N-dimethylboronamidic acid
CID 161168719
2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide
CID 58869133
2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]ethanol
CID 58869142
2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 126780755
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline
CID 115756557
methyl N-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
CID 66651422
2-amino-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 46889353
5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol
CID 24984171

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]acetyl chloride?
The IUPAC name of 2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]acetyl chloride (CID 58668691) is 2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]acetyl chloride.
What is the SMILES notation for 2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]acetyl chloride?
The canonical SMILES for 2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]acetyl chloride is O=C(Cl)CC1CCOc2cc(S(=O)(=O)c3cccc(F)c3)ccc21.
What is the InChIKey of 2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]acetyl chloride?
The InChIKey is CFJNMORPOWAIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO4S/c18-17(20)8-11-6-7-23-16-10-14(4-5-15(11)16)24(21,22)13-3-1-2-12(19)9-13/h1-5,9-11H,6-8H2.
What are the key properties of 2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]acetyl chloride?
2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]acetyl chloride has a molecular weight of 368.81 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]acetyl chloride is sourced from PubChem (CID 58668691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).