4-[(5-chloro-3-pyridinyl)sulfonimidoyl]benzamide

C12H10ClN3O2S — CID 172634061

IUPAC4-[(5-chloro-3-pyridinyl)sulfonimidoyl]benzamide
SMILES[H]N=S(=O)(c1ccc(C(N)=O)cc1)c1cncc(Cl)c1
InChIInChI=1S/C12H10ClN3O2S/c13-9-5-11(7-16-6-9)19(15,18)10-3-1-8(2-4-10)12(14)17/h1-7,15H,(H2,14,17)
InChIKeyXHRPDUCPFLNJGB-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.30
Rot. Bonds3

About 4-[(5-chloro-3-pyridinyl)sulfonimidoyl]benzamide

4-[(5-chloro-3-pyridinyl)sulfonimidoyl]benzamide (PubChem CID 172634061) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)sulfonimidoyl]benzamide.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)sulfonimidoyl]benzamide
PubChem CID172634061
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC Name4-[(5-chloro-3-pyridinyl)sulfonimidoyl]benzamide
SMILES[H]N=S(=O)(c1ccc(C(N)=O)cc1)c1cncc(Cl)c1
InChIInChI=1S/C12H10ClN3O2S/c13-9-5-11(7-16-6-9)19(15,18)10-3-1-8(2-4-10)12(14)17/h1-7,15H,(H2,14,17)
InChIKeyXHRPDUCPFLNJGB-UHFFFAOYSA-N
XLogP2.30
TPSA96.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
4-carbamoylbenzenesulfonyl fluoride
CID 54079384
benzene-1,4-dicarboxamide;benzenesulfonyl chloride
CID 175228763
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
4-methylsulfonylbenzamide;hydrochloride
CID 71184405
methyl 4-[[5-(2-methoxyethoxymethyl)-3-pyridinyl]sulfonimidoyl]benzoate
CID 168792354
4-(hydroxymethylsulfonyl)benzamide
CID 58552991
4-[(3,4-difluorophenyl)sulfonimidoyl]benzoic acid
CID 168792403
4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
CID 43456434
pyridine-4-carboxamide;4-sulfamoylbenzoic acid
CID 139186564
methyl 4-[(5-chloro-2-pyridinyl)sulfonimidoyl]benzoate
CID 168792392

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-pyridinyl)sulfonimidoyl]benzamide?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)sulfonimidoyl]benzamide (CID 172634061) is 4-[(5-chloro-3-pyridinyl)sulfonimidoyl]benzamide.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)sulfonimidoyl]benzamide?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)sulfonimidoyl]benzamide is [H]N=S(=O)(c1ccc(C(N)=O)cc1)c1cncc(Cl)c1.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)sulfonimidoyl]benzamide?
The InChIKey is XHRPDUCPFLNJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c13-9-5-11(7-16-6-9)19(15,18)10-3-1-8(2-4-10)12(14)17/h1-7,15H,(H2,14,17).
What are the key properties of 4-[(5-chloro-3-pyridinyl)sulfonimidoyl]benzamide?
4-[(5-chloro-3-pyridinyl)sulfonimidoyl]benzamide has a molecular weight of 295.75 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-pyridinyl)sulfonimidoyl]benzamide is sourced from PubChem (CID 172634061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).