N-[4-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)phenyl]acetamide

C16H16N2O3S2 — CID 9268284

IUPACN-[4-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCSc3ccccc32)cc1
InChIInChI=1S/C16H16N2O3S2/c1-12(19)17-13-6-8-14(9-7-13)23(20,21)18-10-11-22-16-5-3-2-4-15(16)18/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyTYNPNOAFBNXUPO-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.95
Rot. Bonds3

About N-[4-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)phenyl]acetamide

N-[4-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)phenyl]acetamide (PubChem CID 9268284) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)phenyl]acetamide
PubChem CID9268284
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC NameN-[4-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCSc3ccccc32)cc1
InChIInChI=1S/C16H16N2O3S2/c1-12(19)17-13-6-8-14(9-7-13)23(20,21)18-10-11-22-16-5-3-2-4-15(16)18/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyTYNPNOAFBNXUPO-UHFFFAOYSA-N
XLogP2.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)phenyl]acetamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)phenyl]acetamide (CID 9268284) is N-[4-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCSc3ccccc32)cc1.
What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)phenyl]acetamide?
The InChIKey is TYNPNOAFBNXUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-12(19)17-13-6-8-14(9-7-13)23(20,21)18-10-11-22-16-5-3-2-4-15(16)18/h2-9H,10-11H2,1H3,(H,17,19).
What are the key properties of N-[4-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)phenyl]acetamide?
N-[4-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)phenyl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 9268284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).