4-[2-(4-methylphenyl)phenyl]benzenesulfonamide

C19H17NO2S — CID 23451018

IUPAC4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H17NO2S/c1-14-6-8-15(9-7-14)18-4-2-3-5-19(18)16-10-12-17(13-11-16)23(20,21)22/h2-13H,1H3,(H2,20,21,22)
InChIKeyTUEHFQPONMPEOD-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.98
Rot. Bonds3

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

4-[2-(4-methylphenyl)phenyl]benzenesulfonamide (PubChem CID 23451018) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
PubChem CID23451018
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H17NO2S/c1-14-6-8-15(9-7-14)18-4-2-3-5-19(18)16-10-12-17(13-11-16)23(20,21)22/h2-13H,1H3,(H2,20,21,22)
InChIKeyTUEHFQPONMPEOD-UHFFFAOYSA-N
XLogP3.98
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(4-methylbenzenesulfonamide);selane
CID 173300479
methane;4-methylbenzenesulfonamide
CID 66673954
4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide
CID 23451076
4-(2-aminophenyl)benzenesulfonamide
CID 18545753
4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide
CID 22107208
acetonitrile;4-methylbenzenesulfonamide
CID 67578872
4-[2-[3,5-bis(dimethylamino)-4-fluorophenyl]phenyl]benzenesulfonamide
CID 23451025
4-(2-cyanophenyl)benzenesulfonamide
CID 102354115
4-(2-nitrophenyl)benzenesulfonamide
CID 102354114
4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10808251
4-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 126754935
aminourea;4-methylbenzenesulfonamide
CID 174801132

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-methylphenyl)phenyl]benzenesulfonamide (CID 23451018) is 4-[2-(4-methylphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-methylphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-methylphenyl)phenyl]benzenesulfonamide is Cc1ccc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)phenyl]benzenesulfonamide?
The InChIKey is TUEHFQPONMPEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-14-6-8-15(9-7-14)18-4-2-3-5-19(18)16-10-12-17(13-11-16)23(20,21)22/h2-13H,1H3,(H2,20,21,22).
What are the key properties of 4-[2-(4-methylphenyl)phenyl]benzenesulfonamide?
4-[2-(4-methylphenyl)phenyl]benzenesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 23451018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).