4-[4-(4-aminobenzoyl)phenyl]benzenesulfonamide

C19H16N2O3S — CID 91995964

IUPAC4-[4-(4-aminobenzoyl)phenyl]benzenesulfonamide
SMILESNc1ccc(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C19H16N2O3S/c20-17-9-5-16(6-10-17)19(22)15-3-1-13(2-4-15)14-7-11-18(12-8-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)
InChIKeyXKAQFZLONLOUSN-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.81
Rot. Bonds4

About 4-[4-(4-aminobenzoyl)phenyl]benzenesulfonamide

4-[4-(4-aminobenzoyl)phenyl]benzenesulfonamide (PubChem CID 91995964) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-[4-(4-aminobenzoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-aminobenzoyl)phenyl]benzenesulfonamide
PubChem CID91995964
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name4-[4-(4-aminobenzoyl)phenyl]benzenesulfonamide
SMILESNc1ccc(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C19H16N2O3S/c20-17-9-5-16(6-10-17)19(22)15-3-1-13(2-4-15)14-7-11-18(12-8-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)
InChIKeyXKAQFZLONLOUSN-UHFFFAOYSA-N
XLogP2.81
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminobenzoyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-aminobenzoyl)phenyl]benzenesulfonamide (CID 91995964) is 4-[4-(4-aminobenzoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-aminobenzoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-aminobenzoyl)phenyl]benzenesulfonamide is Nc1ccc(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-aminobenzoyl)phenyl]benzenesulfonamide?
The InChIKey is XKAQFZLONLOUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c20-17-9-5-16(6-10-17)19(22)15-3-1-13(2-4-15)14-7-11-18(12-8-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24).
What are the key properties of 4-[4-(4-aminobenzoyl)phenyl]benzenesulfonamide?
4-[4-(4-aminobenzoyl)phenyl]benzenesulfonamide has a molecular weight of 352.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminobenzoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 91995964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).