N-(4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C16H15ClN2OS — CID 5082268

IUPACN-(4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCN1CCSc2ccc(C(=O)Nc3ccc(Cl)cc3)cc21
InChIInChI=1S/C16H15ClN2OS/c1-19-8-9-21-15-7-2-11(10-14(15)19)16(20)18-13-5-3-12(17)4-6-13/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyJYLLDNBJNIBTAN-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.13
Rot. Bonds2

About N-(4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

N-(4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 5082268) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID5082268
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC NameN-(4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCN1CCSc2ccc(C(=O)Nc3ccc(Cl)cc3)cc21
InChIInChI=1S/C16H15ClN2OS/c1-19-8-9-21-15-7-2-11(10-14(15)19)16(20)18-13-5-3-12(17)4-6-13/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyJYLLDNBJNIBTAN-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Apadoline
CID 179334
N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2460170
N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 5082266
4-[(2-Chloro-6-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 3369827
4-benzyl-6-[(4-methylpiperazin-1-yl)carbonyl]-3,4-dihydro-2H-1,4-benzothiazine
CID 20876259
6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
CID 677722
3-Chloro-N-(5-cyano-2-(methylsulfanyl)phenyl)benzenecarboxamide
CID 1471768
N-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide
CID 2192292
3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
CID 2194290
N-cyclohexyl-4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 3239253
3-acetamido-N-[(2-chloro-4-fluorophenyl)methyl]-4-(4-chlorophenyl)sulfanylbenzamide
CID 3402021
4-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 4086767

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 5082268) is N-(4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is CN1CCSc2ccc(C(=O)Nc3ccc(Cl)cc3)cc21.
What is the InChIKey of N-(4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is JYLLDNBJNIBTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-19-8-9-21-15-7-2-11(10-14(15)19)16(20)18-13-5-3-12(17)4-6-13/h2-7,10H,8-9H2,1H3,(H,18,20).
What are the key properties of N-(4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
N-(4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 318.83 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 5082268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).