N-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide

C15H15N3O3S2 — CID 20964978

IUPACN-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESCSc1cccc(NC(=O)C2Nc3ccccc3S(=O)(=O)N2)c1
InChIInChI=1S/C15H15N3O3S2/c1-22-11-6-4-5-10(9-11)16-15(19)14-17-12-7-2-3-8-13(12)23(20,21)18-14/h2-9,14,17-18H,1H3,(H,16,19)
InChIKeyGXMVIGHNQRSXMH-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.08
Rot. Bonds3

About N-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide

N-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (PubChem CID 20964978) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
PubChem CID20964978
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC NameN-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESCSc1cccc(NC(=O)C2Nc3ccccc3S(=O)(=O)N2)c1
InChIInChI=1S/C15H15N3O3S2/c1-22-11-6-4-5-10(9-11)16-15(19)14-17-12-7-2-3-8-13(12)23(20,21)18-14/h2-9,14,17-18H,1H3,(H,16,19)
InChIKeyGXMVIGHNQRSXMH-UHFFFAOYSA-N
XLogP2.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-(3-fluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 92711866
N-(3-bromophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide
CID 16875871
4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-(3-methylsulfanylphenyl)benzamide
CID 92876154
(3S)-N-(2-carbamoylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 93069214
N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262082
(3S)-3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 92715091
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 18150594
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946722
1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 56610085
N-(3-methylsulfanylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890122

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (CID 20964978) is N-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is CSc1cccc(NC(=O)C2Nc3ccccc3S(=O)(=O)N2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The InChIKey is GXMVIGHNQRSXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-22-11-6-4-5-10(9-11)16-15(19)14-17-12-7-2-3-8-13(12)23(20,21)18-14/h2-9,14,17-18H,1H3,(H,16,19).
What are the key properties of N-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
N-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is sourced from PubChem (CID 20964978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).