4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide

C11H9ClN4O3S — CID 43456434

IUPAC4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
SMILESNC(=O)c1ccc(NS(=O)(=O)c2cnc(Cl)nc2)cc1
InChIInChI=1S/C11H9ClN4O3S/c12-11-14-5-9(6-15-11)20(18,19)16-8-3-1-7(2-4-8)10(13)17/h1-6,16H,(H2,13,17)
InChIKeyOVOJYQFZNAYMQP-UHFFFAOYSA-N
MW312.74 g/mol
LogP1.03
Rot. Bonds4

About 4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide

4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide (PubChem CID 43456434) has the molecular formula C11H9ClN4O3S and a molecular weight of 312.74 g/mol. Its IUPAC name is 4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
PubChem CID43456434
Molecular FormulaC11H9ClN4O3S
Molecular Weight312.74 g/mol
Exact Mass312.01
IUPAC Name4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
SMILESNC(=O)c1ccc(NS(=O)(=O)c2cnc(Cl)nc2)cc1
InChIInChI=1S/C11H9ClN4O3S/c12-11-14-5-9(6-15-11)20(18,19)16-8-3-1-7(2-4-8)10(13)17/h1-6,16H,(H2,13,17)
InChIKeyOVOJYQFZNAYMQP-UHFFFAOYSA-N
XLogP1.03
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
CID 61053533
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
4-[(6-fluoro-3-pyridinyl)sulfamoyl]benzamide
CID 103775704
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide
CID 114051668
methyl 4-[(2-aminopyrimidin-5-yl)sulfonylamino]benzoate
CID 22582879
2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide
CID 61053173
2-chloro-N-(3,5-difluorophenyl)pyrimidine-5-sulfonamide
CID 43456351
2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide
CID 43456340
4-[[4-(difluoromethoxy)phenyl]sulfamoyl]benzamide
CID 46644155
4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzamide
CID 19258755

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide?
The IUPAC name of 4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide (CID 43456434) is 4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for 4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide?
The canonical SMILES for 4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide is NC(=O)c1ccc(NS(=O)(=O)c2cnc(Cl)nc2)cc1.
What is the InChIKey of 4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide?
The InChIKey is OVOJYQFZNAYMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3S/c12-11-14-5-9(6-15-11)20(18,19)16-8-3-1-7(2-4-8)10(13)17/h1-6,16H,(H2,13,17).
What are the key properties of 4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide?
4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide has a molecular weight of 312.74 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 43456434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).