5,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide

C17H14N2O3S — CID 1235461

IUPAC5,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide
SMILESO=C(Nc1ccccc1)C1=C2c3ccccc3S(=O)(=O)N2CC1
InChIInChI=1S/C17H14N2O3S/c20-17(18-12-6-2-1-3-7-12)14-10-11-19-16(14)13-8-4-5-9-15(13)23(19,21)22/h1-9H,10-11H2,(H,18,20)
InChIKeyZZZZAZWPVZHFGD-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.44
Rot. Bonds2

About 5,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide

5,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide (PubChem CID 1235461) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 5,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide.

Molecular Properties

Compound Name5,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide
PubChem CID1235461
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name5,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide
SMILESO=C(Nc1ccccc1)C1=C2c3ccccc3S(=O)(=O)N2CC1
InChIInChI=1S/C17H14N2O3S/c20-17(18-12-6-2-1-3-7-12)14-10-11-19-16(14)13-8-4-5-9-15(13)23(19,21)22/h1-9H,10-11H2,(H,18,20)
InChIKeyZZZZAZWPVZHFGD-UHFFFAOYSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-isopropenylphenyl)propanamide
CID 1003709
N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614339
N-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 677934
N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 968625
N-hydroxy-4-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoylamino]benzamide
CID 122186707
N-[4-(2,3-dihydro-1H-indol-1-ylsulfonyl)phenyl]propanamide
CID 788728
3-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylpropanamide
CID 45254020
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide
CID 989172
N-(3-{[3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)propanoyl]amino}phenyl)-2-methylpropanamide
CID 1314217
N-phenyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 1534402
N-(4-fluorophenyl)-4-{methyl[(4-methylphenyl)sulfonyl]amino}butanamide
CID 2136138
2-(4-Pyrrolidin-1-ylsulfonylphenyl)-1,2-benzothiazol-3-one
CID 2325816

Frequently Asked Questions

What is the IUPAC name of 5,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide?
The IUPAC name of 5,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide (CID 1235461) is 5,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide.
What is the SMILES notation for 5,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide?
The canonical SMILES for 5,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide is O=C(Nc1ccccc1)C1=C2c3ccccc3S(=O)(=O)N2CC1.
What is the InChIKey of 5,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide?
The InChIKey is ZZZZAZWPVZHFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-17(18-12-6-2-1-3-7-12)14-10-11-19-16(14)13-8-4-5-9-15(13)23(19,21)22/h1-9H,10-11H2,(H,18,20).
What are the key properties of 5,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide?
5,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide is sourced from PubChem (CID 1235461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).