4-(4-benzylphenyl)benzenesulfonamide

C19H17NO2S — CID 122194777

IUPAC4-(4-benzylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C19H17NO2S/c20-23(21,22)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,20,21,22)
InChIKeyKAYOZHWGXYWOBM-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.59
Rot. Bonds4

About 4-(4-benzylphenyl)benzenesulfonamide

4-(4-benzylphenyl)benzenesulfonamide (PubChem CID 122194777) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-(4-benzylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-benzylphenyl)benzenesulfonamide
PubChem CID122194777
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name4-(4-benzylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C19H17NO2S/c20-23(21,22)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,20,21,22)
InChIKeyKAYOZHWGXYWOBM-UHFFFAOYSA-N
XLogP3.59
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 5017140
CID 5017140
CID 77279
CID 77279
CID 112499924
CID 112499924
CID 68833705
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CID 102354117
CID 102354117
CID 74192
CID 74192
CID 222872
CID 222872
CID 2053748
CID 2053748
CID 23625979
CID 23625979
CID 44590437
CID 44590437
CID 10500778
CID 10500778
CID 9836619
CID 9836619

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylphenyl)benzenesulfonamide?
The IUPAC name of 4-(4-benzylphenyl)benzenesulfonamide (CID 122194777) is 4-(4-benzylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-benzylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(4-benzylphenyl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(Cc3ccccc3)cc2)cc1.
What is the InChIKey of 4-(4-benzylphenyl)benzenesulfonamide?
The InChIKey is KAYOZHWGXYWOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c20-23(21,22)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,20,21,22).
What are the key properties of 4-(4-benzylphenyl)benzenesulfonamide?
4-(4-benzylphenyl)benzenesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylphenyl)benzenesulfonamide is sourced from PubChem (CID 122194777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).