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

C14H10ClN3O3S — CID 13010330

IUPACN-(4-chlorophenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C14H10ClN3O3S/c15-9-5-7-10(8-6-9)16-14(19)13-17-11-3-1-2-4-12(11)22(20,21)18-13/h1-8H,(H,16,19)(H,17,18)
InChIKeyKINKRCRGVPBYRD-UHFFFAOYSA-N
MW335.77 g/mol
LogP2.49
Rot. Bonds2

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

N-(4-chlorophenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide (PubChem CID 13010330) has the molecular formula C14H10ClN3O3S and a molecular weight of 335.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide
PubChem CID13010330
Molecular FormulaC14H10ClN3O3S
Molecular Weight335.77 g/mol
Exact Mass335.01
IUPAC NameN-(4-chlorophenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C14H10ClN3O3S/c15-9-5-7-10(8-6-9)16-14(19)13-17-11-3-1-2-4-12(11)22(20,21)18-13/h1-8H,(H,16,19)(H,17,18)
InChIKeyKINKRCRGVPBYRD-UHFFFAOYSA-N
XLogP2.49
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide
CID 18591533
N-[2-(4-chlorophenyl)ethyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
CID 20902312
N-(3,4-difluorophenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
CID 22588774
N-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 18579973
3-(2,4-dichlorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 132590876
3-(2-chloroethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 3532338
N-(4-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767935
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
(3R)-N-(3,4-difluorophenyl)-4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-3-methylbutanamide
CID 92715069
methyl 4-[[2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetyl]amino]benzoate
CID 18580017
N-(4-chlorophenyl)pyrimidine-2-carboxamide
CID 56724074
N-(4-acetamidophenyl)-2-[(7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 18580022

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide (CID 13010330) is N-(4-chlorophenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1=NS(=O)(=O)c2ccccc2N1.
What is the InChIKey of N-(4-chlorophenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide?
The InChIKey is KINKRCRGVPBYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S/c15-9-5-7-10(8-6-9)16-14(19)13-17-11-3-1-2-4-12(11)22(20,21)18-13/h1-8H,(H,16,19)(H,17,18).
What are the key properties of N-(4-chlorophenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide?
N-(4-chlorophenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide has a molecular weight of 335.77 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide is sourced from PubChem (CID 13010330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).