7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride

C20H25FO3S — CID 25017344

IUPAC7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCCCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25FO3S/c21-25(22,23)16-8-3-1-2-5-9-18-12-14-20(15-13-18)24-17-19-10-6-4-7-11-19/h4,6-7,10-15H,1-3,5,8-9,16-17H2
InChIKeyLDYCDYVYRFNQEB-UHFFFAOYSA-N
MW364.48 g/mol
LogP5.06
Rot. Bonds11

About 7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride

7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride (PubChem CID 25017344) has the molecular formula C20H25FO3S and a molecular weight of 364.48 g/mol. Its IUPAC name is 7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride.

Molecular Properties

Compound Name7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride
PubChem CID25017344
Molecular FormulaC20H25FO3S
Molecular Weight364.48 g/mol
Exact Mass364.15
IUPAC Name7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCCCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25FO3S/c21-25(22,23)16-8-3-1-2-5-9-18-12-14-20(15-13-18)24-17-19-10-6-4-7-11-19/h4,6-7,10-15H,1-3,5,8-9,16-17H2
InChIKeyLDYCDYVYRFNQEB-UHFFFAOYSA-N
XLogP5.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.48
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Entsufon Sodium
CID 23691009
2-Phenyl-ethenesulfonic acid 4-benzyloxy-phenyl ester
CID 6027581
4,4'-Diethoxybiphenyl
CID 617993
Benzene, decylphenoxy-
CID 112304
Phenol, 4,4'-(1-methylethylidene)bis-, 2-propen-1-yl ether
CID 113539
Tripotassium;4-(4-phenoxyphenyl)-1-phosphonatobutane-1-sulfonate
CID 15261228
7-(3-Benzyloxy-phenyl)-heptanesulfonyl fluoride
CID 25017345
7-(2-Benzyloxy-phenyl)-heptanesulfonyl fluoride
CID 25017346
7-(4-Benzyloxy-phenyl)-heptane-1-sulfonic acid methyl ester
CID 25017611
5-(4-Benzyloxy-phenyl)-pentanesulfonyl fluoride
CID 44128291
Benzene, 1,1'-(2-methylpropylidene)bis(4-ethoxy-
CID 41819
1-Methoxy-4-((((4-methoxyphenyl)methyl)disulfanyl)methyl)benzene
CID 6422463

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride?
The IUPAC name of 7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride (CID 25017344) is 7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride.
What is the SMILES notation for 7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride?
The canonical SMILES for 7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride is O=S(=O)(F)CCCCCCCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride?
The InChIKey is LDYCDYVYRFNQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FO3S/c21-25(22,23)16-8-3-1-2-5-9-18-12-14-20(15-13-18)24-17-19-10-6-4-7-11-19/h4,6-7,10-15H,1-3,5,8-9,16-17H2.
What are the key properties of 7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride?
7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride has a molecular weight of 364.48 g/mol, XLogP of 5.06, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride is sourced from PubChem (CID 25017344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).