4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide

C19H17ClN4O2S — CID 134130759

IUPAC4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2nc(=O)c3cc(Cl)ccc3s2)CC1
InChIInChI=1S/C19H17ClN4O2S/c20-13-6-7-16-15(12-13)17(25)22-19(27-16)24-10-8-23(9-11-24)18(26)21-14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,21,26)
InChIKeyWXTMOSPIRLIPFC-UHFFFAOYSA-N
MW400.89 g/mol
LogP3.66
Rot. Bonds2

About 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide

4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide (PubChem CID 134130759) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide
PubChem CID134130759
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC Name4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2nc(=O)c3cc(Cl)ccc3s2)CC1
InChIInChI=1S/C19H17ClN4O2S/c20-13-6-7-16-15(12-13)17(25)22-19(27-16)24-10-8-23(9-11-24)18(26)21-14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,21,26)
InChIKeyWXTMOSPIRLIPFC-UHFFFAOYSA-N
XLogP3.66
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 134131085
N-(3-chlorophenyl)-4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide
CID 121081279
4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide
CID 3044286
4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide
CID 113080443
4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 56942033
4-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 72715594
[4-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 41115263
3-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one
CID 41115293
N-(2,5-dichlorophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47031878
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 3787929
4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide
CID 113075230

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide (CID 134130759) is 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(c2nc(=O)c3cc(Cl)ccc3s2)CC1.
What is the InChIKey of 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is WXTMOSPIRLIPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c20-13-6-7-16-15(12-13)17(25)22-19(27-16)24-10-8-23(9-11-24)18(26)21-14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,21,26).
What are the key properties of 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide?
4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 400.89 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 134130759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).