4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride

C10H13ClO3S — CID 98235111

IUPAC4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride
SMILESCC[C@H](C)Oc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H13ClO3S/c1-3-8(2)14-9-4-6-10(7-5-9)15(11,12)13/h4-8H,3H2,1-2H3/t8-/m0/s1
InChIKeyIIXVIKKHVMQQDX-QMMMGPOBSA-N
MW248.73 g/mol
LogP2.79
Rot. Bonds4

About 4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride

4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride (PubChem CID 98235111) has the molecular formula C10H13ClO3S and a molecular weight of 248.73 g/mol. Its IUPAC name is 4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride
PubChem CID98235111
Molecular FormulaC10H13ClO3S
Molecular Weight248.73 g/mol
Exact Mass248.03
IUPAC Name4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride
SMILESCC[C@H](C)Oc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H13ClO3S/c1-3-8(2)14-9-4-6-10(7-5-9)15(11,12)13/h4-8H,3H2,1-2H3/t8-/m0/s1
InChIKeyIIXVIKKHVMQQDX-QMMMGPOBSA-N
XLogP2.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 135175462
4-(1-cyanopropoxy)benzenesulfonyl chloride
CID 82917382
4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride
CID 16740705
4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride
CID 82916384
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
4-[(2R)-butan-2-yl]benzenesulfonyl chloride
CID 98062552
4-butan-2-ylbenzenesulfonyl chloride
CID 3776048
4-butan-2-yloxyaniline
CID 13097722
bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone
CID 131860857
4-[3-(2-methylpropoxy)propoxy]benzenesulfonyl chloride
CID 90949891
4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride
CID 8484
butan-2-yl 3-(4-chlorosulfonylphenyl)propanoate
CID 65396929

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride?
The IUPAC name of 4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride (CID 98235111) is 4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride.
What is the SMILES notation for 4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride?
The canonical SMILES for 4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride is CC[C@H](C)Oc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride?
The InChIKey is IIXVIKKHVMQQDX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13ClO3S/c1-3-8(2)14-9-4-6-10(7-5-9)15(11,12)13/h4-8H,3H2,1-2H3/t8-/m0/s1.
What are the key properties of 4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride?
4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride has a molecular weight of 248.73 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride is sourced from PubChem (CID 98235111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).