4-[4-[(4-aminophenyl)methyl]phenyl]benzenesulfonamide

C19H18N2O2S — CID 122194786

IUPAC4-[4-[(4-aminophenyl)methyl]phenyl]benzenesulfonamide
SMILESNc1ccc(Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C19H18N2O2S/c20-18-9-3-15(4-10-18)13-14-1-5-16(6-2-14)17-7-11-19(12-8-17)24(21,22)23/h1-12H,13,20H2,(H2,21,22,23)
InChIKeyOAKZJHWEHHAVPE-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.17
Rot. Bonds4

About 4-[4-[(4-aminophenyl)methyl]phenyl]benzenesulfonamide

4-[4-[(4-aminophenyl)methyl]phenyl]benzenesulfonamide (PubChem CID 122194786) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-[4-[(4-aminophenyl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[(4-aminophenyl)methyl]phenyl]benzenesulfonamide
PubChem CID122194786
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name4-[4-[(4-aminophenyl)methyl]phenyl]benzenesulfonamide
SMILESNc1ccc(Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C19H18N2O2S/c20-18-9-3-15(4-10-18)13-14-1-5-16(6-2-14)17-7-11-19(12-8-17)24(21,22)23/h1-12H,13,20H2,(H2,21,22,23)
InChIKeyOAKZJHWEHHAVPE-UHFFFAOYSA-N
XLogP3.17
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-aminophenyl)methyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-[4-[(4-aminophenyl)methyl]phenyl]benzenesulfonamide (CID 122194786) is 4-[4-[(4-aminophenyl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[(4-aminophenyl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4-[(4-aminophenyl)methyl]phenyl]benzenesulfonamide is Nc1ccc(Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[(4-aminophenyl)methyl]phenyl]benzenesulfonamide?
The InChIKey is OAKZJHWEHHAVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c20-18-9-3-15(4-10-18)13-14-1-5-16(6-2-14)17-7-11-19(12-8-17)24(21,22)23/h1-12H,13,20H2,(H2,21,22,23).
What are the key properties of 4-[4-[(4-aminophenyl)methyl]phenyl]benzenesulfonamide?
4-[4-[(4-aminophenyl)methyl]phenyl]benzenesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-aminophenyl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 122194786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).