5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide

C10H9ClN4O2S — CID 107587461

IUPAC5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)Nc2cncnc2)c1
InChIInChI=1S/C10H9ClN4O2S/c11-9-2-1-7(12)3-10(9)18(16,17)15-8-4-13-6-14-5-8/h1-6,15H,12H2
InChIKeyGYEOHVLRZRQTDM-UHFFFAOYSA-N
MW284.73 g/mol
LogP1.51
Rot. Bonds3

About 5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide

5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 107587461) has the molecular formula C10H9ClN4O2S and a molecular weight of 284.73 g/mol. Its IUPAC name is 5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
PubChem CID107587461
Molecular FormulaC10H9ClN4O2S
Molecular Weight284.73 g/mol
Exact Mass284.01
IUPAC Name5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)Nc2cncnc2)c1
InChIInChI=1S/C10H9ClN4O2S/c11-9-2-1-7(12)3-10(9)18(16,17)15-8-4-13-6-14-5-8/h1-6,15H,12H2
InChIKeyGYEOHVLRZRQTDM-UHFFFAOYSA-N
XLogP1.51
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.73
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587497
5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587500
5-amino-2-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3521355
5-amino-2-chloro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667966
4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856694
5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 29301609
5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617147
5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 29276222
5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103093986
5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587452
5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 29042708
3-chloro-4-(pyrimidin-5-ylsulfamoyl)benzenecarbothioamide
CID 107588792

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide (CID 107587461) is 5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide is Nc1ccc(Cl)c(S(=O)(=O)Nc2cncnc2)c1.
What is the InChIKey of 5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is GYEOHVLRZRQTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2S/c11-9-2-1-7(12)3-10(9)18(16,17)15-8-4-13-6-14-5-8/h1-6,15H,12H2.
What are the key properties of 5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide?
5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide has a molecular weight of 284.73 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 107587461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).