N-(3-chlorophenyl)-3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide

C14H12ClN3O4S2 — CID 50758363

IUPACN-(3-chlorophenyl)-3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESCC1=NS(=O)(=O)c2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2N1
InChIInChI=1S/C14H12ClN3O4S2/c1-9-16-13-6-5-12(8-14(13)24(21,22)17-9)23(19,20)18-11-4-2-3-10(15)7-11/h2-8,18H,1H3,(H,16,17)
InChIKeyZENYDPKSVVKBOD-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.67
Rot. Bonds3

About N-(3-chlorophenyl)-3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide

N-(3-chlorophenyl)-3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide (PubChem CID 50758363) has the molecular formula C14H12ClN3O4S2 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
PubChem CID50758363
Molecular FormulaC14H12ClN3O4S2
Molecular Weight385.85 g/mol
Exact Mass385.00
IUPAC NameN-(3-chlorophenyl)-3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESCC1=NS(=O)(=O)c2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2N1
InChIInChI=1S/C14H12ClN3O4S2/c1-9-16-13-6-5-12(8-14(13)24(21,22)17-9)23(19,20)18-11-4-2-3-10(15)7-11/h2-8,18H,1H3,(H,16,17)
InChIKeyZENYDPKSVVKBOD-UHFFFAOYSA-N
XLogP2.67
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide (CID 50758363) is N-(3-chlorophenyl)-3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide is CC1=NS(=O)(=O)c2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2N1.
What is the InChIKey of N-(3-chlorophenyl)-3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The InChIKey is ZENYDPKSVVKBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4S2/c1-9-16-13-6-5-12(8-14(13)24(21,22)17-9)23(19,20)18-11-4-2-3-10(15)7-11/h2-8,18H,1H3,(H,16,17).
What are the key properties of N-(3-chlorophenyl)-3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
N-(3-chlorophenyl)-3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide has a molecular weight of 385.85 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide is sourced from PubChem (CID 50758363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).