4-(benzenesulfonyl)-1-methyl-2-propylbenzene

C16H18O2S — CID 143209762

IUPAC4-(benzenesulfonyl)-1-methyl-2-propylbenzene
SMILESCCCc1cc(S(=O)(=O)c2ccccc2)ccc1C
InChIInChI=1S/C16H18O2S/c1-3-7-14-12-16(11-10-13(14)2)19(17,18)15-8-5-4-6-9-15/h4-6,8-12H,3,7H2,1-2H3
InChIKeyRHTHGURXSCUHAR-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.78
Rot. Bonds4

About 4-(benzenesulfonyl)-1-methyl-2-propylbenzene

4-(benzenesulfonyl)-1-methyl-2-propylbenzene (PubChem CID 143209762) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1-methyl-2-propylbenzene.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1-methyl-2-propylbenzene
PubChem CID143209762
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Name4-(benzenesulfonyl)-1-methyl-2-propylbenzene
SMILESCCCc1cc(S(=O)(=O)c2ccccc2)ccc1C
InChIInChI=1S/C16H18O2S/c1-3-7-14-12-16(11-10-13(14)2)19(17,18)15-8-5-4-6-9-15/h4-6,8-12H,3,7H2,1-2H3
InChIKeyRHTHGURXSCUHAR-UHFFFAOYSA-N
XLogP3.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl) 4-methyl-3-propylbenzenesulfonate
CID 22921298
4-(benzenesulfonyl)-1,2-bis(bromomethyl)benzene
CID 130298857
[4-methyl-3-(2-phenylethyl)phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane
CID 19596037
4-methyl-N,N-diphenyl-3-propylaniline
CID 141411343
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene
CID 90181116
4-(benzenesulfonyl)-N-ethylaniline
CID 10849008
hydroxy-[4-methyl-3-(3-phenylpropyl)phenyl]-oxo-sulfanylidene-λ6-sulfane
CID 21222479
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
1-methoxy-3-(4-propylphenyl)sulfonylbenzene
CID 178027027
5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 57430153

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1-methyl-2-propylbenzene?
The IUPAC name of 4-(benzenesulfonyl)-1-methyl-2-propylbenzene (CID 143209762) is 4-(benzenesulfonyl)-1-methyl-2-propylbenzene.
What is the SMILES notation for 4-(benzenesulfonyl)-1-methyl-2-propylbenzene?
The canonical SMILES for 4-(benzenesulfonyl)-1-methyl-2-propylbenzene is CCCc1cc(S(=O)(=O)c2ccccc2)ccc1C.
What is the InChIKey of 4-(benzenesulfonyl)-1-methyl-2-propylbenzene?
The InChIKey is RHTHGURXSCUHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-3-7-14-12-16(11-10-13(14)2)19(17,18)15-8-5-4-6-9-15/h4-6,8-12H,3,7H2,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-1-methyl-2-propylbenzene?
4-(benzenesulfonyl)-1-methyl-2-propylbenzene has a molecular weight of 274.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1-methyl-2-propylbenzene is sourced from PubChem (CID 143209762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).