2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide

C32H33FN6O2S — CID 69134750

IUPAC2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(-c4ccc5c(ccn5CC5CCN(C)CC5)c4)ncn3)cc2)c(F)c1
InChIInChI=1S/C32H33FN6O2S/c1-22-3-10-31(28(33)17-22)42(40,41)37-27-7-5-26(6-8-27)36-32-19-29(34-21-35-32)24-4-9-30-25(18-24)13-16-39(30)20-23-11-14-38(2)15-12-23/h3-10,13,16-19,21,23,37H,11-12,14-15,20H2,1-2H3,(H,34,35,36)
InChIKeyWUXWMLIYQNSMOR-UHFFFAOYSA-N
MW584.72 g/mol
LogP6.43
Rot. Bonds8

About 2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide

2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide (PubChem CID 69134750) has the molecular formula C32H33FN6O2S and a molecular weight of 584.72 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
PubChem CID69134750
Molecular FormulaC32H33FN6O2S
Molecular Weight584.72 g/mol
Exact Mass584.24
IUPAC Name2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(-c4ccc5c(ccn5CC5CCN(C)CC5)c4)ncn3)cc2)c(F)c1
InChIInChI=1S/C32H33FN6O2S/c1-22-3-10-31(28(33)17-22)42(40,41)37-27-7-5-26(6-8-27)36-32-19-29(34-21-35-32)24-4-9-30-25(18-24)13-16-39(30)20-23-11-14-38(2)15-12-23/h3-10,13,16-19,21,23,37H,11-12,14-15,20H2,1-2H3,(H,34,35,36)
InChIKeyWUXWMLIYQNSMOR-UHFFFAOYSA-N
XLogP6.43
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]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

N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine
CID 149905725
1-(3-Fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469115
3-({4-[(2-benzyl-3-methyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949702
N-[4-[[4-[4-(4-methylsulfonylpiperazin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 50943512
N-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 50943588
1-(Benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469046
1-(4-Fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469116
1-(2,5-Difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469117
1-(3,4-Difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469118
4-Piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline
CID 90469183
4-Piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline
CID 90469184
1-(3-Methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469187

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide (CID 69134750) is 2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(-c4ccc5c(ccn5CC5CCN(C)CC5)c4)ncn3)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide?
The InChIKey is WUXWMLIYQNSMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN6O2S/c1-22-3-10-31(28(33)17-22)42(40,41)37-27-7-5-26(6-8-27)36-32-19-29(34-21-35-32)24-4-9-30-25(18-24)13-16-39(30)20-23-11-14-38(2)15-12-23/h3-10,13,16-19,21,23,37H,11-12,14-15,20H2,1-2H3,(H,34,35,36).
What are the key properties of 2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide?
2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide has a molecular weight of 584.72 g/mol, XLogP of 6.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 69134750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).