4-chloro-N-pyrimidin-2-ylbenzenesulfonamide

C10H8ClN3O2S — CID 935725

IUPAC4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClN3O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,(H,12,13,14)
InChIKeyVGFPYDAFDSFDFC-UHFFFAOYSA-N
MW269.71 g/mol
LogP1.93
Rot. Bonds3

About 4-chloro-N-pyrimidin-2-ylbenzenesulfonamide

4-chloro-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 935725) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is 4-chloro-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID935725
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Name4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClN3O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,(H,12,13,14)
InChIKeyVGFPYDAFDSFDFC-UHFFFAOYSA-N
XLogP1.93
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
zinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide)
CID 10010263
4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide
CID 66656852
4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1164234
4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 43111211
4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 75505555

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-pyrimidin-2-ylbenzenesulfonamide (CID 935725) is 4-chloro-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-pyrimidin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ncccn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is VGFPYDAFDSFDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,(H,12,13,14).
What are the key properties of 4-chloro-N-pyrimidin-2-ylbenzenesulfonamide?
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 269.71 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 935725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).