2-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)acetamide

C15H12N2O3S2 — CID 1252684

IUPAC2-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1nc2ccccc2s1
InChIInChI=1S/C15H12N2O3S2/c18-14(10-22(19,20)11-6-2-1-3-7-11)17-15-16-12-8-4-5-9-13(12)21-15/h1-9H,10H2,(H,16,17,18)
InChIKeyHOJIWTYQNVFJSY-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.71
Rot. Bonds4

About 2-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)acetamide

2-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)acetamide (PubChem CID 1252684) has the molecular formula C15H12N2O3S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)acetamide
PubChem CID1252684
Molecular FormulaC15H12N2O3S2
Molecular Weight332.41 g/mol
Exact Mass332.03
IUPAC Name2-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1nc2ccccc2s1
InChIInChI=1S/C15H12N2O3S2/c18-14(10-22(19,20)11-6-2-1-3-7-11)17-15-16-12-8-4-5-9-13(12)21-15/h1-9H,10H2,(H,16,17,18)
InChIKeyHOJIWTYQNVFJSY-UHFFFAOYSA-N
XLogP2.71
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)acetamide (CID 1252684) is 2-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)acetamide is O=C(CS(=O)(=O)c1ccccc1)Nc1nc2ccccc2s1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)acetamide?
The InChIKey is HOJIWTYQNVFJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S2/c18-14(10-22(19,20)11-6-2-1-3-7-11)17-15-16-12-8-4-5-9-13(12)21-15/h1-9H,10H2,(H,16,17,18).
What are the key properties of 2-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)acetamide?
2-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)acetamide has a molecular weight of 332.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 1252684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).