5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide

C12H11ClN4O3S — CID 116798900

IUPAC5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccnc(Cl)n2)cc1C(N)=O
InChIInChI=1S/C12H11ClN4O3S/c1-7-2-3-8(6-9(7)11(14)18)21(19,20)17-10-4-5-15-12(13)16-10/h2-6H,1H3,(H2,14,18)(H,15,16,17)
InChIKeyGKQQHCRCBNYIOJ-UHFFFAOYSA-N
MW326.77 g/mol
LogP1.34
Rot. Bonds4

About 5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide

5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide (PubChem CID 116798900) has the molecular formula C12H11ClN4O3S and a molecular weight of 326.77 g/mol. Its IUPAC name is 5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide
PubChem CID116798900
Molecular FormulaC12H11ClN4O3S
Molecular Weight326.77 g/mol
Exact Mass326.02
IUPAC Name5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccnc(Cl)n2)cc1C(N)=O
InChIInChI=1S/C12H11ClN4O3S/c1-7-2-3-8(6-9(7)11(14)18)21(19,20)17-10-4-5-15-12(13)16-10/h2-6H,1H3,(H2,14,18)(H,15,16,17)
InChIKeyGKQQHCRCBNYIOJ-UHFFFAOYSA-N
XLogP1.34
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-chloropyrimidin-4-yl)-3-methylbenzenesulfonamide
CID 116794691
2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794803
2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794837
2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
CID 63820783
4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 116798901
3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide
CID 116798836
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 116798867
5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide
CID 116795237
5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide
CID 103775627
5-amino-N-(2-chloropyrimidin-4-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 116794695
2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide
CID 43606850

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of 5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide (CID 116798900) is 5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for 5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)Nc2ccnc(Cl)n2)cc1C(N)=O.
What is the InChIKey of 5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide?
The InChIKey is GKQQHCRCBNYIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3S/c1-7-2-3-8(6-9(7)11(14)18)21(19,20)17-10-4-5-15-12(13)16-10/h2-6H,1H3,(H2,14,18)(H,15,16,17).
What are the key properties of 5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide?
5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide has a molecular weight of 326.77 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 116798900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).