1-(benzenesulfonyl)-2-cyclopropylbenzene

C15H14O2S — CID 12644504

IUPAC1-(benzenesulfonyl)-2-cyclopropylbenzene
SMILESO=S(=O)(c1ccccc1)c1ccccc1C1CC1
InChIInChI=1S/C15H14O2S/c16-18(17,13-6-2-1-3-7-13)15-9-5-4-8-14(15)12-10-11-12/h1-9,12H,10-11H2
InChIKeyUEKMEOQGLZAFIB-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.40
Rot. Bonds3

About 1-(benzenesulfonyl)-2-cyclopropylbenzene

1-(benzenesulfonyl)-2-cyclopropylbenzene (PubChem CID 12644504) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-cyclopropylbenzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-cyclopropylbenzene
PubChem CID12644504
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name1-(benzenesulfonyl)-2-cyclopropylbenzene
SMILESO=S(=O)(c1ccccc1)c1ccccc1C1CC1
InChIInChI=1S/C15H14O2S/c16-18(17,13-6-2-1-3-7-13)15-9-5-4-8-14(15)12-10-11-12/h1-9,12H,10-11H2
InChIKeyUEKMEOQGLZAFIB-UHFFFAOYSA-N
XLogP3.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(benzenesulfonyl)benzene
CID 19980733
1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
CID 19980732
3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine
CID 66876690
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
2-cyclohexylbenzenesulfonic acid
CID 14574322
1-cyclopentyl-2-ethylsulfonylbenzene
CID 57003369
2-piperidin-4-ylbenzenesulfonyl chloride
CID 19811017
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
2-(benzenesulfonyl)benzaldehyde
CID 640916
1-(benzenesulfonyl)-2-nitrosobenzene
CID 24977548
3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 166273738
2-(benzenesulfonyl)-6-chloroaniline
CID 22766719

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-cyclopropylbenzene?
The IUPAC name of 1-(benzenesulfonyl)-2-cyclopropylbenzene (CID 12644504) is 1-(benzenesulfonyl)-2-cyclopropylbenzene.
What is the SMILES notation for 1-(benzenesulfonyl)-2-cyclopropylbenzene?
The canonical SMILES for 1-(benzenesulfonyl)-2-cyclopropylbenzene is O=S(=O)(c1ccccc1)c1ccccc1C1CC1.
What is the InChIKey of 1-(benzenesulfonyl)-2-cyclopropylbenzene?
The InChIKey is UEKMEOQGLZAFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c16-18(17,13-6-2-1-3-7-13)15-9-5-4-8-14(15)12-10-11-12/h1-9,12H,10-11H2.
What are the key properties of 1-(benzenesulfonyl)-2-cyclopropylbenzene?
1-(benzenesulfonyl)-2-cyclopropylbenzene has a molecular weight of 258.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-cyclopropylbenzene is sourced from PubChem (CID 12644504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).