1-(benzenesulfonyl)-3-methoxybenzene

C13H12O3S — CID 640917

IUPAC1-(benzenesulfonyl)-3-methoxybenzene
SMILESCOc1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C13H12O3S/c1-16-11-6-5-9-13(10-11)17(14,15)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyRAYKFMBXKZRFBC-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.53
Rot. Bonds3

About 1-(benzenesulfonyl)-3-methoxybenzene

1-(benzenesulfonyl)-3-methoxybenzene (PubChem CID 640917) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-methoxybenzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-methoxybenzene
PubChem CID640917
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name1-(benzenesulfonyl)-3-methoxybenzene
SMILESCOc1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C13H12O3S/c1-16-11-6-5-9-13(10-11)17(14,15)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyRAYKFMBXKZRFBC-UHFFFAOYSA-N
XLogP2.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxyphenyl 4-isopropoxyphenylsulfone
CID 9904141
SB-3CT
CID 9883002
Phenoxathiin, 10,10-dioxide
CID 70369
4-(4-Allyloxy-benzenesulfonyl)-phenol
CID 2054598
3-(4-Phenoxy-benzenesulfonyl)-propane-1-thiol
CID 10267279
1-Methoxy-2-(phenylsulfonyl)benzene
CID 640912
4-Methoxybenzenesulfonyl chloride
CID 7401
1-Methoxy-4-(methylthio)benzene
CID 15885
Benzene, 1-methoxy-4-(methylsulfonyl)-
CID 137966
4-(4-Methoxy-benzenesulfonyl)-butane-2-thiol
CID 15516780
1-(4-Methoxy-benzenesulfonyl)-heptane-3-thiol
CID 15516781
3-(4-Methoxy-benzenesulfonyl)-propane-1-thiol
CID 18411961

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-methoxybenzene?
The IUPAC name of 1-(benzenesulfonyl)-3-methoxybenzene (CID 640917) is 1-(benzenesulfonyl)-3-methoxybenzene.
What is the SMILES notation for 1-(benzenesulfonyl)-3-methoxybenzene?
The canonical SMILES for 1-(benzenesulfonyl)-3-methoxybenzene is COc1cccc(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-3-methoxybenzene?
The InChIKey is RAYKFMBXKZRFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c1-16-11-6-5-9-13(10-11)17(14,15)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 1-(benzenesulfonyl)-3-methoxybenzene?
1-(benzenesulfonyl)-3-methoxybenzene has a molecular weight of 248.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-methoxybenzene is sourced from PubChem (CID 640917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).