4-phenylmethoxynaphthalene-1-sulfonyl chloride

C17H13ClO3S — CID 45156377

IUPAC4-phenylmethoxynaphthalene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2ccccc2)c2ccccc12
InChIInChI=1S/C17H13ClO3S/c18-22(19,20)17-11-10-16(14-8-4-5-9-15(14)17)21-12-13-6-2-1-3-7-13/h1-11H,12H2
InChIKeyQJRYVVVKYPNHOV-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.35
Rot. Bonds4

About 4-phenylmethoxynaphthalene-1-sulfonyl chloride

4-phenylmethoxynaphthalene-1-sulfonyl chloride (PubChem CID 45156377) has the molecular formula C17H13ClO3S and a molecular weight of 332.81 g/mol. Its IUPAC name is 4-phenylmethoxynaphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name4-phenylmethoxynaphthalene-1-sulfonyl chloride
PubChem CID45156377
Molecular FormulaC17H13ClO3S
Molecular Weight332.81 g/mol
Exact Mass332.03
IUPAC Name4-phenylmethoxynaphthalene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2ccccc2)c2ccccc12
InChIInChI=1S/C17H13ClO3S/c18-22(19,20)17-11-10-16(14-8-4-5-9-15(14)17)21-12-13-6-2-1-3-7-13/h1-11H,12H2
InChIKeyQJRYVVVKYPNHOV-UHFFFAOYSA-N
XLogP4.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63036759
4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride
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2,3-dimethyl-4-phenylmethoxybenzenesulfonamide
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4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride
CID 43247067
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
8-phenylmethoxyquinoline-5-sulfonamide
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4-phenylmethoxynaphthalene-1-carbonitrile
CID 23318695
5,8-bis(phenylmethoxy)naphthalen-2-ol
CID 139679004
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
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4-bromonaphthalene-1-sulfonyl chloride
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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxynaphthalene-1-sulfonyl chloride?
The IUPAC name of 4-phenylmethoxynaphthalene-1-sulfonyl chloride (CID 45156377) is 4-phenylmethoxynaphthalene-1-sulfonyl chloride.
What is the SMILES notation for 4-phenylmethoxynaphthalene-1-sulfonyl chloride?
The canonical SMILES for 4-phenylmethoxynaphthalene-1-sulfonyl chloride is O=S(=O)(Cl)c1ccc(OCc2ccccc2)c2ccccc12.
What is the InChIKey of 4-phenylmethoxynaphthalene-1-sulfonyl chloride?
The InChIKey is QJRYVVVKYPNHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO3S/c18-22(19,20)17-11-10-16(14-8-4-5-9-15(14)17)21-12-13-6-2-1-3-7-13/h1-11H,12H2.
What are the key properties of 4-phenylmethoxynaphthalene-1-sulfonyl chloride?
4-phenylmethoxynaphthalene-1-sulfonyl chloride has a molecular weight of 332.81 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxynaphthalene-1-sulfonyl chloride is sourced from PubChem (CID 45156377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).