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

C15H13ClN2OS — CID 1478240

IUPACN-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCSc2ccccc21
InChIInChI=1S/C15H13ClN2OS/c16-11-5-7-12(8-6-11)17-15(19)18-9-10-20-14-4-2-1-3-13(14)18/h1-8H,9-10H2,(H,17,19)
InChIKeyLPPASUBPOSZAQD-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.48
Rot. Bonds1

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

N-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide (PubChem CID 1478240) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
PubChem CID1478240
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC NameN-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCSc2ccccc21
InChIInChI=1S/C15H13ClN2OS/c16-11-5-7-12(8-6-11)17-15(19)18-9-10-20-14-4-2-1-3-13(14)18/h1-8H,9-10H2,(H,17,19)
InChIKeyLPPASUBPOSZAQD-UHFFFAOYSA-N
XLogP4.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 704259
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CID 705769
N-propyl-10H-phenothiazine-10-carboxamide
CID 1991974
N-butan-2-ylphenothiazine-10-carboxamide
CID 5150646
N-(2-chlorophenyl)-2,3-dihydro-4H-1,4-benzothiazine-4-carboxamide
CID 1478238
N-(4-chlorophenyl)thiomorpholine-4-carboxamide
CID 757063
N-(3,4-Dichlorophenyl)-10H-phenothiazine-10-carboximidic acid
CID 377568
N-cyclopentylphenothiazine-10-carboxamide
CID 704267
N-Methyl-10H-phenothiazine-10-carboxamide
CID 19916609
N-Cyclobutyl-1''H-phenothiazine-1''-carboxamide
CID 46229054
N-allyl-10H-phenothiazine-10-carboxamide
CID 1865633
1-(3-Chlorophenyl)-3-(2-methylsulfanylphenyl)urea
CID 2226935

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide (CID 1478240) is N-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCSc2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The InChIKey is LPPASUBPOSZAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c16-11-5-7-12(8-6-11)17-15(19)18-9-10-20-14-4-2-1-3-13(14)18/h1-8H,9-10H2,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
N-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide has a molecular weight of 304.80 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide is sourced from PubChem (CID 1478240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).