2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid

C11H7Cl2N3O4S — CID 116794803

IUPAC2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccnc(Cl)n2)ccc1Cl
InChIInChI=1S/C11H7Cl2N3O4S/c12-8-2-1-6(5-7(8)10(17)18)21(19,20)16-9-3-4-14-11(13)15-9/h1-5H,(H,17,18)(H,14,15,16)
InChIKeyYOOUXSFJAPTOIL-UHFFFAOYSA-N
MW348.17 g/mol
LogP2.28
Rot. Bonds4

About 2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid

2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid (PubChem CID 116794803) has the molecular formula C11H7Cl2N3O4S and a molecular weight of 348.17 g/mol. Its IUPAC name is 2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
PubChem CID116794803
Molecular FormulaC11H7Cl2N3O4S
Molecular Weight348.17 g/mol
Exact Mass346.95
IUPAC Name2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccnc(Cl)n2)ccc1Cl
InChIInChI=1S/C11H7Cl2N3O4S/c12-8-2-1-6(5-7(8)10(17)18)21(19,20)16-9-3-4-14-11(13)15-9/h1-5H,(H,17,18)(H,14,15,16)
InChIKeyYOOUXSFJAPTOIL-UHFFFAOYSA-N
XLogP2.28
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794837
5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide
CID 116798900
2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28519051
2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
CID 116812704
3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide
CID 116798836
N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 116798867
4-amino-N-(2-chloropyrimidin-4-yl)-3-methylbenzenesulfonamide
CID 116794691
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
2-chloro-5-(1H-imidazol-2-ylsulfamoyl)benzoic acid
CID 55212179
4-bromo-3-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794818
3-amino-4-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794764
2-chloro-5-(dimethylaminosulfamoyl)benzoic acid
CID 83004774

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid (CID 116794803) is 2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccnc(Cl)n2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid?
The InChIKey is YOOUXSFJAPTOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O4S/c12-8-2-1-6(5-7(8)10(17)18)21(19,20)16-9-3-4-14-11(13)15-9/h1-5H,(H,17,18)(H,14,15,16).
What are the key properties of 2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid?
2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid has a molecular weight of 348.17 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 116794803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).