4-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzamide

C16H12N2O3S2 — CID 753886

IUPAC4-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H12N2O3S2/c19-15(18-16-17-10-11-22-16)12-6-8-14(9-7-12)23(20,21)13-4-2-1-3-5-13/h1-11H,(H,17,18,19)
InChIKeyOYPLNKZVSKRHMR-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.23
Rot. Bonds4

About 4-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzamide

4-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 753886) has the molecular formula C16H12N2O3S2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID753886
Molecular FormulaC16H12N2O3S2
Molecular Weight344.42 g/mol
Exact Mass344.03
IUPAC Name4-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H12N2O3S2/c19-15(18-16-17-10-11-22-16)12-6-8-14(9-7-12)23(20,21)13-4-2-1-3-5-13/h1-11H,(H,17,18,19)
InChIKeyOYPLNKZVSKRHMR-UHFFFAOYSA-N
XLogP3.23
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzamide (CID 753886) is 4-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is OYPLNKZVSKRHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S2/c19-15(18-16-17-10-11-22-16)12-6-8-14(9-7-12)23(20,21)13-4-2-1-3-5-13/h1-11H,(H,17,18,19).
What are the key properties of 4-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzamide?
4-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 344.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 753886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).