N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

C21H16N2O2S2 — CID 7013345

IUPACN-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1
InChIInChI=1S/C21H16N2O2S2/c24-27(25,19-9-5-2-6-10-19)23-18-13-11-16(12-14-18)20-15-26-21(22-20)17-7-3-1-4-8-17/h1-15,23H
InChIKeyGUJKTZSNYYLZHG-UHFFFAOYSA-N
MW392.51 g/mol
LogP5.28
Rot. Bonds5

About N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 7013345) has the molecular formula C21H16N2O2S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID7013345
Molecular FormulaC21H16N2O2S2
Molecular Weight392.51 g/mol
Exact Mass392.07
IUPAC NameN-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1
InChIInChI=1S/C21H16N2O2S2/c24-27(25,19-9-5-2-6-10-19)23-18-13-11-16(12-14-18)20-15-26-21(22-20)17-7-3-1-4-8-17/h1-15,23H
InChIKeyGUJKTZSNYYLZHG-UHFFFAOYSA-N
XLogP5.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.51
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 7013345) is N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is GUJKTZSNYYLZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S2/c24-27(25,19-9-5-2-6-10-19)23-18-13-11-16(12-14-18)20-15-26-21(22-20)17-7-3-1-4-8-17/h1-15,23H.
What are the key properties of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 392.51 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7013345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).