(1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide

C13H10N2OS — CID 11413817

IUPAC(1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide
SMILESO=[S@@]1N=C(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C13H10N2OS/c16-17-12-9-5-4-8-11(12)14-13(15-17)10-6-2-1-3-7-10/h1-9H,(H,14,15)/t17-/m0/s1
InChIKeyQPQKICQXTOOCPK-KRWDZBQOSA-N
MW242.30 g/mol
LogP2.58
Rot. Bonds1

About (1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide

(1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide (PubChem CID 11413817) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is (1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide.

Molecular Properties

Compound Name(1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide
PubChem CID11413817
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name(1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide
SMILESO=[S@@]1N=C(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C13H10N2OS/c16-17-12-9-5-4-8-11(12)14-13(15-17)10-6-2-1-3-7-10/h1-9H,(H,14,15)/t17-/m0/s1
InChIKeyQPQKICQXTOOCPK-KRWDZBQOSA-N
XLogP2.58
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-10H-phenothiazine 5-oxide
CID 177311057
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-10H-phenothiazine 5-oxide
CID 138723348
4-chloro-2,6-diphenyl-1H-1,3,5-triazine-4-carboxylic acid
CID 174807962
3,3-difluoro-1H-2,1-benzothiazole 2-oxide
CID 143071963
1,4-diphenylbenzene;1H-indole-2,3-dione
CID 175350104
(1S,3R)-1lambda4,3lambda4-benzodithiole 1,3-dioxide
CID 11891924
5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine
CID 102265993
3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one
CID 122380476
1,1'-biphenyl;λ2-stannane;dihydrochloride
CID 173025942
CID 69117879
CID 69117879
4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine
CID 141467271
3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazine
CID 118534163

Frequently Asked Questions

What is the IUPAC name of (1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide?
The IUPAC name of (1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide (CID 11413817) is (1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide.
What is the SMILES notation for (1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide?
The canonical SMILES for (1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide is O=[S@@]1N=C(c2ccccc2)Nc2ccccc21.
What is the InChIKey of (1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide?
The InChIKey is QPQKICQXTOOCPK-KRWDZBQOSA-N. The full InChI is InChI=1S/C13H10N2OS/c16-17-12-9-5-4-8-11(12)14-13(15-17)10-6-2-1-3-7-10/h1-9H,(H,14,15)/t17-/m0/s1.
What are the key properties of (1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide?
(1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide has a molecular weight of 242.30 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide is sourced from PubChem (CID 11413817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).