N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C22H15ClN4O2S — CID 60525874

IUPACN-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3ccc4nc(-c5ccccc5Cl)[nH]c4c3)cc2N1
InChIInChI=1S/C22H15ClN4O2S/c23-15-4-2-1-3-14(15)21-26-16-7-6-13(10-17(16)27-21)24-22(29)12-5-8-19-18(9-12)25-20(28)11-30-19/h1-10H,11H2,(H,24,29)(H,25,28)(H,26,27)
InChIKeyHROBSMHQQFLAIM-UHFFFAOYSA-N
MW434.91 g/mol
LogP5.18
Rot. Bonds3

About N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 60525874) has the molecular formula C22H15ClN4O2S and a molecular weight of 434.91 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID60525874
Molecular FormulaC22H15ClN4O2S
Molecular Weight434.91 g/mol
Exact Mass434.06
IUPAC NameN-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3ccc4nc(-c5ccccc5Cl)[nH]c4c3)cc2N1
InChIInChI=1S/C22H15ClN4O2S/c23-15-4-2-1-3-14(15)21-26-16-7-6-13(10-17(16)27-21)24-22(29)12-5-8-19-18(9-12)25-20(28)11-30-19/h1-10H,11H2,(H,24,29)(H,25,28)(H,26,27)
InChIKeyHROBSMHQQFLAIM-UHFFFAOYSA-N
XLogP5.18
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.91
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide with MolForge

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Related Compounds

3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
2-(2-chlorophenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690291
N'-[2-(2-chlorophenyl)quinoline-4-carbonyl]-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 27690303
3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide
CID 26592395
2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide
CID 103763504
3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 55344492
N-[2-(2-chlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 5142730
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide
CID 2208803
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727
N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 52692930
3-oxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 26289464
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide
CID 35875024

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 60525874) is N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is O=C1CSc2ccc(C(=O)Nc3ccc4nc(-c5ccccc5Cl)[nH]c4c3)cc2N1.
What is the InChIKey of N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is HROBSMHQQFLAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O2S/c23-15-4-2-1-3-14(15)21-26-16-7-6-13(10-17(16)27-21)24-22(29)12-5-8-19-18(9-12)25-20(28)11-30-19/h1-10H,11H2,(H,24,29)(H,25,28)(H,26,27).
What are the key properties of N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 434.91 g/mol, XLogP of 5.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 60525874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).