4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide

C10H7BrClN3O2S — CID 104856694

IUPAC4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cncnc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H7BrClN3O2S/c11-7-1-2-10(9(12)3-7)18(16,17)15-8-4-13-6-14-5-8/h1-6,15H
InChIKeyHCTAEGWLPAFYCZ-UHFFFAOYSA-N
MW348.61 g/mol
LogP2.69
Rot. Bonds3

About 4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide

4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 104856694) has the molecular formula C10H7BrClN3O2S and a molecular weight of 348.61 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
PubChem CID104856694
Molecular FormulaC10H7BrClN3O2S
Molecular Weight348.61 g/mol
Exact Mass346.91
IUPAC Name4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cncnc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H7BrClN3O2S/c11-7-1-2-10(9(12)3-7)18(16,17)15-8-4-13-6-14-5-8/h1-6,15H
InChIKeyHCTAEGWLPAFYCZ-UHFFFAOYSA-N
XLogP2.69
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.61
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587465
4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
CID 107577552
3-chloro-4-(pyrimidin-5-ylsulfamoyl)benzenecarbothioamide
CID 107588792
N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63062265
4-bromo-2-chloro-N-(3-iodophenyl)benzenesulfonamide
CID 60640731
4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
CID 7939100
5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587461
N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 7510419
4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 55153923
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585
3-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856633

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide (CID 104856694) is 4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide is O=S(=O)(Nc1cncnc1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is HCTAEGWLPAFYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O2S/c11-7-1-2-10(9(12)3-7)18(16,17)15-8-4-13-6-14-5-8/h1-6,15H.
What are the key properties of 4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide?
4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide has a molecular weight of 348.61 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 104856694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).