N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide

C22H26FN5O2S — CID 121032523

IUPACN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(NS(=O)(=O)c3cc(F)ccc3C)cc2)n1
InChIInChI=1S/C22H26FN5O2S/c1-5-28(6-2)21-13-16(4)24-22(26-21)25-18-9-11-19(12-10-18)27-31(29,30)20-14-17(23)8-7-15(20)3/h7-14,27H,5-6H2,1-4H3,(H,24,25,26)
InChIKeyUHBMXZOFZVPEGY-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.62
Rot. Bonds8

About N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide

N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 121032523) has the molecular formula C22H26FN5O2S and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide
PubChem CID121032523
Molecular FormulaC22H26FN5O2S
Molecular Weight443.55 g/mol
Exact Mass443.18
IUPAC NameN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(NS(=O)(=O)c3cc(F)ccc3C)cc2)n1
InChIInChI=1S/C22H26FN5O2S/c1-5-28(6-2)21-13-16(4)24-22(26-21)25-18-9-11-19(12-10-18)27-31(29,30)20-14-17(23)8-7-15(20)3/h7-14,27H,5-6H2,1-4H3,(H,24,25,26)
InChIKeyUHBMXZOFZVPEGY-UHFFFAOYSA-N
XLogP4.62
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide (CID 121032523) is N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide is CCN(CC)c1cc(C)nc(Nc2ccc(NS(=O)(=O)c3cc(F)ccc3C)cc2)n1.
What is the InChIKey of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is UHBMXZOFZVPEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2S/c1-5-28(6-2)21-13-16(4)24-22(26-21)25-18-9-11-19(12-10-18)27-31(29,30)20-14-17(23)8-7-15(20)3/h7-14,27H,5-6H2,1-4H3,(H,24,25,26).
What are the key properties of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide?
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 443.55 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 121032523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).