N-[(4-chlorophenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide

C15H12ClN3O3S — CID 18591533

IUPACN-[(4-chlorophenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C15H12ClN3O3S/c16-11-7-5-10(6-8-11)9-17-15(20)14-18-12-3-1-2-4-13(12)23(21,22)19-14/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyZDIURCYMSJBJLT-UHFFFAOYSA-N
MW349.80 g/mol
LogP2.17
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide (PubChem CID 18591533) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide
PubChem CID18591533
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC NameN-[(4-chlorophenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C15H12ClN3O3S/c16-11-7-5-10(6-8-11)9-17-15(20)14-18-12-3-1-2-4-13(12)23(21,22)19-14/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyZDIURCYMSJBJLT-UHFFFAOYSA-N
XLogP2.17
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide
CID 13010330
N-[2-(4-chlorophenyl)ethyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
CID 20902312
N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 20942033
N-(3,5-dichlorophenyl)-4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)butanamide
CID 53337930
4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-phenylethyl)butanamide
CID 126479089
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide
CID 22137650
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
3-[1,1-dioxo-6-(trifluoromethyl)-4H-1λ6,2,4-benzothiadiazin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 20921929
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
6-chloro-3-[(4-chlorophenyl)methyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 125485860

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide (CID 18591533) is N-[(4-chlorophenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)C1=NS(=O)(=O)c2ccccc2N1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide?
The InChIKey is ZDIURCYMSJBJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c16-11-7-5-10(6-8-11)9-17-15(20)14-18-12-3-1-2-4-13(12)23(21,22)19-14/h1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide has a molecular weight of 349.80 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide is sourced from PubChem (CID 18591533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).