4-butan-2-ylbenzenesulfonyl chloride

C10H13ClO2S — CID 3776048

IUPAC4-butan-2-ylbenzenesulfonyl chloride
SMILESCCC(C)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H13ClO2S/c1-3-8(2)9-4-6-10(7-5-9)14(11,12)13/h4-8H,3H2,1-2H3
InChIKeyWJWCEGFXTKWVPH-UHFFFAOYSA-N
MW232.73 g/mol
LogP3.13
Rot. Bonds3

About 4-butan-2-ylbenzenesulfonyl chloride

4-butan-2-ylbenzenesulfonyl chloride (PubChem CID 3776048) has the molecular formula C10H13ClO2S and a molecular weight of 232.73 g/mol. Its IUPAC name is 4-butan-2-ylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-butan-2-ylbenzenesulfonyl chloride
PubChem CID3776048
Molecular FormulaC10H13ClO2S
Molecular Weight232.73 g/mol
Exact Mass232.03
IUPAC Name4-butan-2-ylbenzenesulfonyl chloride
SMILESCCC(C)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H13ClO2S/c1-3-8(2)9-4-6-10(7-5-9)14(11,12)13/h4-8H,3H2,1-2H3
InChIKeyWJWCEGFXTKWVPH-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R)-butan-2-yl]benzenesulfonyl chloride
CID 98062552
4-[(2R)-butan-2-yl]benzenesulfonate
CID 140600971
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride
CID 124528657
4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride
CID 124528667
4-butan-2-yl-N-(2-chloroethyl)benzenesulfonamide
CID 162435605
butan-2-yl 4-butan-2-ylbenzenesulfonate
CID 20754274
2-(4-butan-2-ylphenyl)sulfonyl-2-chloroacetic acid
CID 23382710
butan-2-ylbenzene;1,4-di(butan-2-yl)benzene;hydron;methanesulfonate
CID 162215366
4-(N-(4-butan-2-ylphenyl)anilino)benzenesulfonic acid
CID 88869436
4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 22773538

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylbenzenesulfonyl chloride?
The IUPAC name of 4-butan-2-ylbenzenesulfonyl chloride (CID 3776048) is 4-butan-2-ylbenzenesulfonyl chloride.
What is the SMILES notation for 4-butan-2-ylbenzenesulfonyl chloride?
The canonical SMILES for 4-butan-2-ylbenzenesulfonyl chloride is CCC(C)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-butan-2-ylbenzenesulfonyl chloride?
The InChIKey is WJWCEGFXTKWVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S/c1-3-8(2)9-4-6-10(7-5-9)14(11,12)13/h4-8H,3H2,1-2H3.
What are the key properties of 4-butan-2-ylbenzenesulfonyl chloride?
4-butan-2-ylbenzenesulfonyl chloride has a molecular weight of 232.73 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylbenzenesulfonyl chloride is sourced from PubChem (CID 3776048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).