3-butan-2-yl-4-methoxybenzenesulfonyl chloride

C11H15ClO3S — CID 43134452

IUPAC3-butan-2-yl-4-methoxybenzenesulfonyl chloride
SMILESCCC(C)c1cc(S(=O)(=O)Cl)ccc1OC
InChIInChI=1S/C11H15ClO3S/c1-4-8(2)10-7-9(16(12,13)14)5-6-11(10)15-3/h5-8H,4H2,1-3H3
InChIKeyMDCDCSKEHTWFNK-UHFFFAOYSA-N
MW262.76 g/mol
LogP3.14
Rot. Bonds4

About 3-butan-2-yl-4-methoxybenzenesulfonyl chloride

3-butan-2-yl-4-methoxybenzenesulfonyl chloride (PubChem CID 43134452) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 3-butan-2-yl-4-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-butan-2-yl-4-methoxybenzenesulfonyl chloride
PubChem CID43134452
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name3-butan-2-yl-4-methoxybenzenesulfonyl chloride
SMILESCCC(C)c1cc(S(=O)(=O)Cl)ccc1OC
InChIInChI=1S/C11H15ClO3S/c1-4-8(2)10-7-9(16(12,13)14)5-6-11(10)15-3/h5-8H,4H2,1-3H3
InChIKeyMDCDCSKEHTWFNK-UHFFFAOYSA-N
XLogP3.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yl-4-pentoxybenzenesulfonyl chloride
CID 43134446
3-butan-2-yl-4-(2-propoxyethoxy)benzenesulfonyl chloride
CID 106451030
4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine
CID 935135
3-[(2S)-butan-2-yl]-4-methoxybenzaldehyde
CID 86324039
3-[(2R)-butan-2-yl]-4-methoxybenzaldehyde
CID 86324038
4-(2,2-difluoroethoxy)-3-propan-2-ylbenzenesulfonyl chloride
CID 60922524
4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonyl chloride
CID 61057681
4-pentan-2-yloxy-3-propan-2-ylbenzenesulfonyl chloride
CID 107889742
3-propan-2-yl-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride
CID 61484808
3-iodo-4-methoxybenzenesulfonyl chloride
CID 4961876
4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide
CID 9173546
4-butan-2-ylbenzenesulfonyl chloride
CID 3776048

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-4-methoxybenzenesulfonyl chloride?
The IUPAC name of 3-butan-2-yl-4-methoxybenzenesulfonyl chloride (CID 43134452) is 3-butan-2-yl-4-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 3-butan-2-yl-4-methoxybenzenesulfonyl chloride?
The canonical SMILES for 3-butan-2-yl-4-methoxybenzenesulfonyl chloride is CCC(C)c1cc(S(=O)(=O)Cl)ccc1OC.
What is the InChIKey of 3-butan-2-yl-4-methoxybenzenesulfonyl chloride?
The InChIKey is MDCDCSKEHTWFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-4-8(2)10-7-9(16(12,13)14)5-6-11(10)15-3/h5-8H,4H2,1-3H3.
What are the key properties of 3-butan-2-yl-4-methoxybenzenesulfonyl chloride?
3-butan-2-yl-4-methoxybenzenesulfonyl chloride has a molecular weight of 262.76 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-4-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 43134452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).