4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide

C12H12BrClN4O2S — CID 106194577

IUPAC4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nc(Cl)ncc2Br)cc1
InChIInChI=1S/C12H12BrClN4O2S/c13-10-7-17-12(14)18-11(10)16-6-5-8-1-3-9(4-2-8)21(15,19)20/h1-4,7H,5-6H2,(H2,15,19,20)(H,16,17,18)
InChIKeyUUSKRJYDIXUIIU-UHFFFAOYSA-N
MW391.68 g/mol
LogP2.19
Rot. Bonds5

About 4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide

4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 106194577) has the molecular formula C12H12BrClN4O2S and a molecular weight of 391.68 g/mol. Its IUPAC name is 4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID106194577
Molecular FormulaC12H12BrClN4O2S
Molecular Weight391.68 g/mol
Exact Mass389.96
IUPAC Name4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nc(Cl)ncc2Br)cc1
InChIInChI=1S/C12H12BrClN4O2S/c13-10-7-17-12(14)18-11(10)16-6-5-8-1-3-9(4-2-8)21(15,19)20/h1-4,7H,5-6H2,(H2,15,19,20)(H,16,17,18)
InChIKeyUUSKRJYDIXUIIU-UHFFFAOYSA-N
XLogP2.19
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.68
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]phenol
CID 79076702
4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 114835817
4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 142898984
5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine
CID 79073377
4-[2-[[2-(1,3-benzothiazol-6-ylamino)-5-bromopyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 10118088
N-[2-(4-bromophenyl)ethyl]-2-chloro-5-fluoropyrimidin-4-amine
CID 87926310
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide
CID 79075455
4-[2-[(6-bromopyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194569
5-bromo-4-N-[2-(4-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80794844
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine
CID 79081252
4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide
CID 79834241

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide (CID 106194577) is 4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2nc(Cl)ncc2Br)cc1.
What is the InChIKey of 4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is UUSKRJYDIXUIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4O2S/c13-10-7-17-12(14)18-11(10)16-6-5-8-1-3-9(4-2-8)21(15,19)20/h1-4,7H,5-6H2,(H2,15,19,20)(H,16,17,18).
What are the key properties of 4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 391.68 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 106194577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).