(3R)-7-chloro-N-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide

C15H14ClN3O4S — CID 93069257

IUPAC(3R)-7-chloro-N-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2Nc3ccc(Cl)cc3S(=O)(=O)N2)cc1
InChIInChI=1S/C15H14ClN3O4S/c1-23-11-5-3-10(4-6-11)17-15(20)14-18-12-7-2-9(16)8-13(12)24(21,22)19-14/h2-8,14,18-19H,1H3,(H,17,20)/t14-/m1/s1
InChIKeyDFCIJWPFKMKAGP-CQSZACIVSA-N
MW367.81 g/mol
LogP2.02
Rot. Bonds3

About (3R)-7-chloro-N-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide

(3R)-7-chloro-N-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (PubChem CID 93069257) has the molecular formula C15H14ClN3O4S and a molecular weight of 367.81 g/mol. Its IUPAC name is (3R)-7-chloro-N-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-7-chloro-N-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
PubChem CID93069257
Molecular FormulaC15H14ClN3O4S
Molecular Weight367.81 g/mol
Exact Mass367.04
IUPAC Name(3R)-7-chloro-N-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2Nc3ccc(Cl)cc3S(=O)(=O)N2)cc1
InChIInChI=1S/C15H14ClN3O4S/c1-23-11-5-3-10(4-6-11)17-15(20)14-18-12-7-2-9(16)8-13(12)24(21,22)19-14/h2-8,14,18-19H,1H3,(H,17,20)/t14-/m1/s1
InChIKeyDFCIJWPFKMKAGP-CQSZACIVSA-N
XLogP2.02
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(4-chlorophenyl)-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 95074107
1-N-(2,4-dichlorophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143453
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
4-chloro-2-(hydroxyamino)-N-(4-methoxyphenyl)benzamide
CID 89356019
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(3-chlorophenyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17152909
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919697
1-(2,5-dichlorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 27228877
(2R)-7-chloro-N-(4-methoxyphenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 93490667
N-(4-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 816577
5-fluoro-N-(4-methoxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 71066395

Frequently Asked Questions

What is the IUPAC name of (3R)-7-chloro-N-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The IUPAC name of (3R)-7-chloro-N-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (CID 93069257) is (3R)-7-chloro-N-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.
What is the SMILES notation for (3R)-7-chloro-N-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The canonical SMILES for (3R)-7-chloro-N-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2Nc3ccc(Cl)cc3S(=O)(=O)N2)cc1.
What is the InChIKey of (3R)-7-chloro-N-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The InChIKey is DFCIJWPFKMKAGP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14ClN3O4S/c1-23-11-5-3-10(4-6-11)17-15(20)14-18-12-7-2-9(16)8-13(12)24(21,22)19-14/h2-8,14,18-19H,1H3,(H,17,20)/t14-/m1/s1.
What are the key properties of (3R)-7-chloro-N-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
(3R)-7-chloro-N-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide has a molecular weight of 367.81 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-chloro-N-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is sourced from PubChem (CID 93069257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).