(3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride

C10H11Cl2FO2S — CID 117458970

IUPAC(3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride
SMILESCC(C)c1cc(Cl)c(F)c(CS(=O)(=O)Cl)c1
InChIInChI=1S/C10H11Cl2FO2S/c1-6(2)7-3-8(5-16(12,14)15)10(13)9(11)4-7/h3-4,6H,5H2,1-2H3
InChIKeyOKGDPZVMIJIJFF-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.67
Rot. Bonds3

About (3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride

(3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride (PubChem CID 117458970) has the molecular formula C10H11Cl2FO2S and a molecular weight of 285.17 g/mol. Its IUPAC name is (3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride
PubChem CID117458970
Molecular FormulaC10H11Cl2FO2S
Molecular Weight285.17 g/mol
Exact Mass283.98
IUPAC Name(3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride
SMILESCC(C)c1cc(Cl)c(F)c(CS(=O)(=O)Cl)c1
InChIInChI=1S/C10H11Cl2FO2S/c1-6(2)7-3-8(5-16(12,14)15)10(13)9(11)4-7/h3-4,6H,5H2,1-2H3
InChIKeyOKGDPZVMIJIJFF-UHFFFAOYSA-N
XLogP3.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
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CID 159873600
(3-bromo-2,5-difluorophenyl)methanesulfonyl chloride
CID 117490895
(6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 84709005
(3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride
CID 117117336
1,2,3-trichloro-5-propan-2-ylbenzene
CID 20811691
(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride
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1,3-diethyl-2-methyl-5-propan-2-ylbenzene
CID 153439448

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride?
The IUPAC name of (3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride (CID 117458970) is (3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride?
The canonical SMILES for (3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride is CC(C)c1cc(Cl)c(F)c(CS(=O)(=O)Cl)c1.
What is the InChIKey of (3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride?
The InChIKey is OKGDPZVMIJIJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2FO2S/c1-6(2)7-3-8(5-16(12,14)15)10(13)9(11)4-7/h3-4,6H,5H2,1-2H3.
What are the key properties of (3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride?
(3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride has a molecular weight of 285.17 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117458970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).