N-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

C15H12N2O4S — CID 677934

IUPACN-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1
InChIInChI=1S/C15H12N2O4S/c18-14(16-11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)22(17,20)21/h1-9H,10H2,(H,16,18)
InChIKeyBKGDPBHAOMGZKB-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.47
Rot. Bonds3

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

N-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 677934) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID677934
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC NameN-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1
InChIInChI=1S/C15H12N2O4S/c18-14(16-11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)22(17,20)21/h1-9H,10H2,(H,16,18)
InChIKeyBKGDPBHAOMGZKB-UHFFFAOYSA-N
XLogP1.47
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1,2-benzisothiazol-3-(2H)-one
CID 164981
N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
N-[4-(Aminosulfonyl)phenyl]-2-mercaptobenzamide
CID 462919
1,2-Benzisothiazol-3(2H)-one, 2-(2-oxo-3-piperidinyl)-, 1,1-dioxide
CID 39528
2-[4-Methyl-3-(piperidine-1-sulfonyl)phenyl]-2,3-dihydro-1,2-benzothiazol-3-one
CID 2327953
Isatin Sulfonamide 26
CID 9800285
2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 2952488
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
CID 5040456
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
4-(3-oxo-1,2-benzothiazol-2-yl)-N-propylbenzamide
CID 16749975
acs.jmedchem.1c00409_ST.172
CID 81434740
acs.jmedchem.1c00409_ST.181
CID 162533685

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CID 677934) is N-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is BKGDPBHAOMGZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c18-14(16-11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)22(17,20)21/h1-9H,10H2,(H,16,18).
What are the key properties of N-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
N-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 316.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 677934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).