N-(3-bromophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide

C14H12BrN3O3S — CID 16875871

IUPACN-(3-bromophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1Nc2ccccc2S(=O)(=O)N1
InChIInChI=1S/C14H12BrN3O3S/c15-9-4-3-5-10(8-9)16-14(19)13-17-11-6-1-2-7-12(11)22(20,21)18-13/h1-8,13,17-18H,(H,16,19)
InChIKeyVCFMOGYPLDLUSI-UHFFFAOYSA-N
MW382.24 g/mol
LogP2.12
Rot. Bonds2

About N-(3-bromophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide

N-(3-bromophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide (PubChem CID 16875871) has the molecular formula C14H12BrN3O3S and a molecular weight of 382.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide
PubChem CID16875871
Molecular FormulaC14H12BrN3O3S
Molecular Weight382.24 g/mol
Exact Mass380.98
IUPAC NameN-(3-bromophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1Nc2ccccc2S(=O)(=O)N1
InChIInChI=1S/C14H12BrN3O3S/c15-9-4-3-5-10(8-9)16-14(19)13-17-11-6-1-2-7-12(11)22(20,21)18-13/h1-8,13,17-18H,(H,16,19)
InChIKeyVCFMOGYPLDLUSI-UHFFFAOYSA-N
XLogP2.12
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide (CID 16875871) is N-(3-bromophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide is O=C(Nc1cccc(Br)c1)C1Nc2ccccc2S(=O)(=O)N1.
What is the InChIKey of N-(3-bromophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide?
The InChIKey is VCFMOGYPLDLUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3S/c15-9-4-3-5-10(8-9)16-14(19)13-17-11-6-1-2-7-12(11)22(20,21)18-13/h1-8,13,17-18H,(H,16,19).
What are the key properties of N-(3-bromophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide?
N-(3-bromophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide has a molecular weight of 382.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide is sourced from PubChem (CID 16875871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).