6-butan-2-yloxynaphthalene-2-sulfonyl chloride

C14H15ClO3S — CID 135175462

IUPAC6-butan-2-yloxynaphthalene-2-sulfonyl chloride
SMILESCCC(C)Oc1ccc2cc(S(=O)(=O)Cl)ccc2c1
InChIInChI=1S/C14H15ClO3S/c1-3-10(2)18-13-6-4-12-9-14(19(15,16)17)7-5-11(12)8-13/h4-10H,3H2,1-2H3
InChIKeyNERYPSXIRUCGMB-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.94
Rot. Bonds4

About 6-butan-2-yloxynaphthalene-2-sulfonyl chloride

6-butan-2-yloxynaphthalene-2-sulfonyl chloride (PubChem CID 135175462) has the molecular formula C14H15ClO3S and a molecular weight of 298.79 g/mol. Its IUPAC name is 6-butan-2-yloxynaphthalene-2-sulfonyl chloride.

Molecular Properties

Compound Name6-butan-2-yloxynaphthalene-2-sulfonyl chloride
PubChem CID135175462
Molecular FormulaC14H15ClO3S
Molecular Weight298.79 g/mol
Exact Mass298.04
IUPAC Name6-butan-2-yloxynaphthalene-2-sulfonyl chloride
SMILESCCC(C)Oc1ccc2cc(S(=O)(=O)Cl)ccc2c1
InChIInChI=1S/C14H15ClO3S/c1-3-10(2)18-13-6-4-12-9-14(19(15,16)17)7-5-11(12)8-13/h4-10H,3H2,1-2H3
InChIKeyNERYPSXIRUCGMB-UHFFFAOYSA-N
XLogP3.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride
CID 98235111
6-pentoxynaphthalene-2-sulfonyl chloride
CID 25158139
7-methoxynaphthalene-2-sulfonyl chloride
CID 10515266
ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate
CID 25158140
7-butan-2-yloxynaphthalen-2-ol
CID 43143670
6,7-dimethoxynaphthalene-2-sulfonyl chloride
CID 14457754
5-butan-2-yloxy-1-benzotellurophene
CID 87575526
6-cyclopropyloxynaphthalene-2-sulfonyl chloride
CID 135175255
4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride
CID 82916384
6-butan-2-yloxy-1-benzoselenophene
CID 87575596
(3-acetyloxy-6-chlorosulfonylnaphthalen-2-yl) acetate
CID 19832966
naphthalene-2,3,6-trisulfonyl chloride
CID 87775954

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxynaphthalene-2-sulfonyl chloride?
The IUPAC name of 6-butan-2-yloxynaphthalene-2-sulfonyl chloride (CID 135175462) is 6-butan-2-yloxynaphthalene-2-sulfonyl chloride.
What is the SMILES notation for 6-butan-2-yloxynaphthalene-2-sulfonyl chloride?
The canonical SMILES for 6-butan-2-yloxynaphthalene-2-sulfonyl chloride is CCC(C)Oc1ccc2cc(S(=O)(=O)Cl)ccc2c1.
What is the InChIKey of 6-butan-2-yloxynaphthalene-2-sulfonyl chloride?
The InChIKey is NERYPSXIRUCGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO3S/c1-3-10(2)18-13-6-4-12-9-14(19(15,16)17)7-5-11(12)8-13/h4-10H,3H2,1-2H3.
What are the key properties of 6-butan-2-yloxynaphthalene-2-sulfonyl chloride?
6-butan-2-yloxynaphthalene-2-sulfonyl chloride has a molecular weight of 298.79 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxynaphthalene-2-sulfonyl chloride is sourced from PubChem (CID 135175462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).