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

C15H14N4O4S — CID 93069214

IUPAC(3S)-N-(2-carbamoylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1
InChIInChI=1S/C15H14N4O4S/c16-13(20)9-5-1-2-6-10(9)18-15(21)14-17-11-7-3-4-8-12(11)24(22,23)19-14/h1-8,14,17,19H,(H2,16,20)(H,18,21)/t14-/m0/s1
InChIKeyHHUBICKDZKJSAS-AWEZNQCLSA-N
MW346.37 g/mol
LogP0.45
Rot. Bonds3

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

(3S)-N-(2-carbamoylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (PubChem CID 93069214) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is (3S)-N-(2-carbamoylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-carbamoylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
PubChem CID93069214
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Name(3S)-N-(2-carbamoylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1
InChIInChI=1S/C15H14N4O4S/c16-13(20)9-5-1-2-6-10(9)18-15(21)14-17-11-7-3-4-8-12(11)24(22,23)19-14/h1-8,14,17,19H,(H2,16,20)(H,18,21)/t14-/m0/s1
InChIKeyHHUBICKDZKJSAS-AWEZNQCLSA-N
XLogP0.45
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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
cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6920114
N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2853331
N-(2-carbamothioylphenyl)cyclopentanecarboxamide
CID 24703566
2-(cyclopropylamino)benzamide
CID 119089293
2-(3-aminopropanoylamino)benzamide
CID 22692052
2-benzamidobenzamide
CID 702115
2-(chloroamino)benzamide
CID 54562633
2-[(2-cyclohexyloxyacetyl)amino]benzamide
CID 47242614
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477465

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-carbamoylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The IUPAC name of (3S)-N-(2-carbamoylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (CID 93069214) is (3S)-N-(2-carbamoylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-carbamoylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-carbamoylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is NC(=O)c1ccccc1NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1.
What is the InChIKey of (3S)-N-(2-carbamoylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The InChIKey is HHUBICKDZKJSAS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14N4O4S/c16-13(20)9-5-1-2-6-10(9)18-15(21)14-17-11-7-3-4-8-12(11)24(22,23)19-14/h1-8,14,17,19H,(H2,16,20)(H,18,21)/t14-/m0/s1.
What are the key properties of (3S)-N-(2-carbamoylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
(3S)-N-(2-carbamoylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide has a molecular weight of 346.37 g/mol, XLogP of 0.45, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-carbamoylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is sourced from PubChem (CID 93069214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).