(4-propan-2-ylphenyl)methanesulfonyl chloride

C10H13ClO2S — CID 16776213

IUPAC(4-propan-2-ylphenyl)methanesulfonyl chloride
SMILESCC(C)c1ccc(CS(=O)(=O)Cl)cc1
InChIInChI=1S/C10H13ClO2S/c1-8(2)10-5-3-9(4-6-10)7-14(11,12)13/h3-6,8H,7H2,1-2H3
InChIKeyIBQYWYMNBNOPAI-UHFFFAOYSA-N
MW232.73 g/mol
LogP2.88
Rot. Bonds3

About (4-propan-2-ylphenyl)methanesulfonyl chloride

(4-propan-2-ylphenyl)methanesulfonyl chloride (PubChem CID 16776213) has the molecular formula C10H13ClO2S and a molecular weight of 232.73 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)methanesulfonyl chloride
PubChem CID16776213
Molecular FormulaC10H13ClO2S
Molecular Weight232.73 g/mol
Exact Mass232.03
IUPAC Name(4-propan-2-ylphenyl)methanesulfonyl chloride
SMILESCC(C)c1ccc(CS(=O)(=O)Cl)cc1
InChIInChI=1S/C10H13ClO2S/c1-8(2)10-5-3-9(4-6-10)7-14(11,12)13/h3-6,8H,7H2,1-2H3
InChIKeyIBQYWYMNBNOPAI-UHFFFAOYSA-N
XLogP2.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide
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N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide
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ethane;1-ethyl-4-propan-2-ylbenzene
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[4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
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4-(chlorosulfonylmethyl)benzenesulfonyl fluoride
CID 117062919
[3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride
CID 117117225
2-methyl-3-(4-propan-2-ylphenyl)propanal
CID 517827
2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine
CID 82181159
2-chloro-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide
CID 107651829
(3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride
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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)methanesulfonyl chloride?
The IUPAC name of (4-propan-2-ylphenyl)methanesulfonyl chloride (CID 16776213) is (4-propan-2-ylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (4-propan-2-ylphenyl)methanesulfonyl chloride?
The canonical SMILES for (4-propan-2-ylphenyl)methanesulfonyl chloride is CC(C)c1ccc(CS(=O)(=O)Cl)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)methanesulfonyl chloride?
The InChIKey is IBQYWYMNBNOPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S/c1-8(2)10-5-3-9(4-6-10)7-14(11,12)13/h3-6,8H,7H2,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)methanesulfonyl chloride?
(4-propan-2-ylphenyl)methanesulfonyl chloride has a molecular weight of 232.73 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 16776213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).