7-chloro-N-phenyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide

C15H13ClN2OS — CID 3693567

IUPAC7-chloro-N-phenyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESO=C(Nc1ccccc1)N1CCSc2cc(Cl)ccc21
InChIInChI=1S/C15H13ClN2OS/c16-11-6-7-13-14(10-11)20-9-8-18(13)15(19)17-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,17,19)
InChIKeyXNKGDDGQRYAYNK-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.48
Rot. Bonds1

About 7-chloro-N-phenyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide

7-chloro-N-phenyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide (PubChem CID 3693567) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 7-chloro-N-phenyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide.

Molecular Properties

Compound Name7-chloro-N-phenyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
PubChem CID3693567
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name7-chloro-N-phenyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESO=C(Nc1ccccc1)N1CCSc2cc(Cl)ccc21
InChIInChI=1S/C15H13ClN2OS/c16-11-6-7-13-14(10-11)20-9-8-18(13)15(19)17-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,17,19)
InChIKeyXNKGDDGQRYAYNK-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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-phenyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The IUPAC name of 7-chloro-N-phenyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide (CID 3693567) is 7-chloro-N-phenyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide.
What is the SMILES notation for 7-chloro-N-phenyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The canonical SMILES for 7-chloro-N-phenyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide is O=C(Nc1ccccc1)N1CCSc2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-N-phenyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The InChIKey is XNKGDDGQRYAYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c16-11-6-7-13-14(10-11)20-9-8-18(13)15(19)17-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,17,19).
What are the key properties of 7-chloro-N-phenyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
7-chloro-N-phenyl-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 7-chloro-N-phenyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide is sourced from PubChem (CID 3693567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).