1-[(2-bromo-5-fluorophenyl)methyl]cyclopropane-1-sulfonyl chloride

C10H9BrClFO2S — CID 165490514

IUPAC1-[(2-bromo-5-fluorophenyl)methyl]cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(Cc2cc(F)ccc2Br)CC1
InChIInChI=1S/C10H9BrClFO2S/c11-9-2-1-8(13)5-7(9)6-10(3-4-10)16(12,14)15/h1-2,5H,3-4,6H2
InChIKeyOHWACGBODXIFNA-UHFFFAOYSA-N
MW327.60 g/mol
LogP3.23
Rot. Bonds3

About 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropane-1-sulfonyl chloride

1-[(2-bromo-5-fluorophenyl)methyl]cyclopropane-1-sulfonyl chloride (PubChem CID 165490514) has the molecular formula C10H9BrClFO2S and a molecular weight of 327.60 g/mol. Its IUPAC name is 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-[(2-bromo-5-fluorophenyl)methyl]cyclopropane-1-sulfonyl chloride
PubChem CID165490514
Molecular FormulaC10H9BrClFO2S
Molecular Weight327.60 g/mol
Exact Mass325.92
IUPAC Name1-[(2-bromo-5-fluorophenyl)methyl]cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(Cc2cc(F)ccc2Br)CC1
InChIInChI=1S/C10H9BrClFO2S/c11-9-2-1-8(13)5-7(9)6-10(3-4-10)16(12,14)15/h1-2,5H,3-4,6H2
InChIKeyOHWACGBODXIFNA-UHFFFAOYSA-N
XLogP3.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.60
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117364001
[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine
CID 62723685
3-[(2-bromo-5-fluorophenyl)methyl]-3-fluoroazetidine
CID 112563367
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194817
2-(2-bromo-5-fluorophenyl)ethanesulfonic acid
CID 86621556
1-[(2-bromo-5-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961178
2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 62621612
1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene
CID 112686127
2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 65146307
N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine
CID 114817509
1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407677
2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 65409108

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropane-1-sulfonyl chloride (CID 165490514) is 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropane-1-sulfonyl chloride is O=S(=O)(Cl)C1(Cc2cc(F)ccc2Br)CC1.
What is the InChIKey of 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropane-1-sulfonyl chloride?
The InChIKey is OHWACGBODXIFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFO2S/c11-9-2-1-8(13)5-7(9)6-10(3-4-10)16(12,14)15/h1-2,5H,3-4,6H2.
What are the key properties of 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropane-1-sulfonyl chloride?
1-[(2-bromo-5-fluorophenyl)methyl]cyclopropane-1-sulfonyl chloride has a molecular weight of 327.60 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-fluorophenyl)methyl]cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165490514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).