4-[(2-methylphenyl)methyl]benzenesulfonamide

C14H15NO2S — CID 139623698

IUPAC4-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H15NO2S/c1-11-4-2-3-5-13(11)10-12-6-8-14(9-7-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)
InChIKeyAUTPBMBAVANSFS-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.23
Rot. Bonds3

About 4-[(2-methylphenyl)methyl]benzenesulfonamide

4-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 139623698) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID139623698
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name4-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H15NO2S/c1-11-4-2-3-5-13(11)10-12-6-8-14(9-7-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)
InChIKeyAUTPBMBAVANSFS-UHFFFAOYSA-N
XLogP2.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide
CID 4719674
4-[(2-methylphenyl)methoxy]benzenesulfonamide
CID 43164522
4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-disulfonamide
CID 17410036
4-[3-[(2-methylphenyl)methylsulfonylamino]propyl]benzenesulfonamide
CID 110293809
1-[(2-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]benzene
CID 22919163
1-ethyl-2-methylbenzene;sulfamide
CID 67800161
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
1-iodo-4-[(2-methylphenyl)methyl]benzene
CID 67085401
[4-[(2-methylphenyl)methyl]phenyl]methanol
CID 22408263
4-[[2-(1-hydroxybut-3-enyl)phenyl]methyl]benzenesulfonamide
CID 142673033
(2-methylphenyl)methanesulfonamide;hydrochloride
CID 70129297
N-methyl-2-(4-sulfamoylphenyl)acetamide
CID 43363710

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-[(2-methylphenyl)methyl]benzenesulfonamide (CID 139623698) is 4-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(2-methylphenyl)methyl]benzenesulfonamide is Cc1ccccc1Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is AUTPBMBAVANSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-11-4-2-3-5-13(11)10-12-6-8-14(9-7-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17).
What are the key properties of 4-[(2-methylphenyl)methyl]benzenesulfonamide?
4-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 261.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 139623698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).