3-(3-phenylpropyl)benzenesulfonyl chloride

C15H15ClO2S — CID 55128748

IUPAC3-(3-phenylpropyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(CCCc2ccccc2)c1
InChIInChI=1S/C15H15ClO2S/c16-19(17,18)15-11-5-10-14(12-15)9-4-8-13-6-2-1-3-7-13/h1-3,5-7,10-12H,4,8-9H2
InChIKeyCYBUTZZFSQNEJN-UHFFFAOYSA-N
MW294.80 g/mol
LogP3.79
Rot. Bonds5

About 3-(3-phenylpropyl)benzenesulfonyl chloride

3-(3-phenylpropyl)benzenesulfonyl chloride (PubChem CID 55128748) has the molecular formula C15H15ClO2S and a molecular weight of 294.80 g/mol. Its IUPAC name is 3-(3-phenylpropyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(3-phenylpropyl)benzenesulfonyl chloride
PubChem CID55128748
Molecular FormulaC15H15ClO2S
Molecular Weight294.80 g/mol
Exact Mass294.05
IUPAC Name3-(3-phenylpropyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(CCCc2ccccc2)c1
InChIInChI=1S/C15H15ClO2S/c16-19(17,18)15-11-5-10-14(12-15)9-4-8-13-6-2-1-3-7-13/h1-3,5-7,10-12H,4,8-9H2
InChIKeyCYBUTZZFSQNEJN-UHFFFAOYSA-N
XLogP3.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 7-(3-chlorosulfonylphenyl)heptanoate
CID 134247439
1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene
CID 161066607
3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride
CID 110823487
4-[3-[4-[4-(benzenesulfonyl)phenyl]butyl]phenyl]sulfonylphenol
CID 68776977
benzene;benzenesulfonyl chloride
CID 87647314
4-phenylbutane-1-sulfonyl chloride
CID 13237419
3-(diethylaminomethyl)benzenesulfonyl chloride
CID 43363694
3-(tert-butylsulfonylmethyl)benzenesulfonyl chloride
CID 63995083
benzenesulfonyl chloride;iron
CID 174954068
1-phenyl-3-(3-phenylpropyl)benzene
CID 153492299
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropyl)benzenesulfonyl chloride?
The IUPAC name of 3-(3-phenylpropyl)benzenesulfonyl chloride (CID 55128748) is 3-(3-phenylpropyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(3-phenylpropyl)benzenesulfonyl chloride?
The canonical SMILES for 3-(3-phenylpropyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(CCCc2ccccc2)c1.
What is the InChIKey of 3-(3-phenylpropyl)benzenesulfonyl chloride?
The InChIKey is CYBUTZZFSQNEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2S/c16-19(17,18)15-11-5-10-14(12-15)9-4-8-13-6-2-1-3-7-13/h1-3,5-7,10-12H,4,8-9H2.
What are the key properties of 3-(3-phenylpropyl)benzenesulfonyl chloride?
3-(3-phenylpropyl)benzenesulfonyl chloride has a molecular weight of 294.80 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropyl)benzenesulfonyl chloride is sourced from PubChem (CID 55128748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).