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

C19H20BrN5O4S2 — CID 142898984

IUPAC4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Nc2ncc(Br)c(NCCc3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C19H20BrN5O4S2/c1-30(26,27)15-8-4-14(5-9-15)24-19-23-12-17(20)18(25-19)22-11-10-13-2-6-16(7-3-13)31(21,28)29/h2-9,12H,10-11H2,1H3,(H2,21,28,29)(H2,22,23,24,25)
InChIKeyPAPXEJZASIFADL-UHFFFAOYSA-N
MW526.44 g/mol
LogP2.69
Rot. Bonds8

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

4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide (PubChem CID 142898984) has the molecular formula C19H20BrN5O4S2 and a molecular weight of 526.44 g/mol. Its IUPAC name is 4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
PubChem CID142898984
Molecular FormulaC19H20BrN5O4S2
Molecular Weight526.44 g/mol
Exact Mass525.01
IUPAC Name4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Nc2ncc(Br)c(NCCc3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C19H20BrN5O4S2/c1-30(26,27)15-8-4-14(5-9-15)24-19-23-12-17(20)18(25-19)22-11-10-13-2-6-16(7-3-13)31(21,28)29/h2-9,12H,10-11H2,1H3,(H2,21,28,29)(H2,22,23,24,25)
InChIKeyPAPXEJZASIFADL-UHFFFAOYSA-N
XLogP2.69
TPSA144.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.44
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-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-[[2-(1,3-benzothiazol-6-ylamino)-5-bromopyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 10118088
4-[[5-bromo-4-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 58890907
4-[[5-bromo-4-[(4-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 58890879
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194577
4-[[4-[4-[2-(ethylsulfonylamino)ethyl]anilino]-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 24743683
4-[[5-bromo-4-[[(2R)-1-hydroxypropan-2-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide;hydrochloride
CID 131801086
4-[[5-bromo-4-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 71732381
4-[[5-bromo-4-[(2-hydroxy-1-methoxyethyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 58751557
4-[[4-[2-(1H-imidazol-2-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 68820838
2-[[5-bromo-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]-3-methylbutanoic acid
CID 68897781
4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 114835817
4-[[5-methyl-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58891102

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide (CID 142898984) is 4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide is CS(=O)(=O)c1ccc(Nc2ncc(Br)c(NCCc3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is PAPXEJZASIFADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5O4S2/c1-30(26,27)15-8-4-14(5-9-15)24-19-23-12-17(20)18(25-19)22-11-10-13-2-6-16(7-3-13)31(21,28)29/h2-9,12H,10-11H2,1H3,(H2,21,28,29)(H2,22,23,24,25).
What are the key properties of 4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 526.44 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 142898984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).