N-[3-[5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

C106H80F12N24O8S4 — CID 163611887

IUPACN-[3-[5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
SMILESCCn1c(-c2ccccc2)nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c1-c1ccnc(N)n1.CCn1c(-c2ccccc2)nc(-c2ccnc(N)n2)c1-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F.Cn1c(-c2ccccc2)nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c1-c1ccnc(N)n1.Cn1c(-c2ccccc2)nc(-c2ccnc(N)n2)c1-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
InChIInChI=1S/2C27H21F3N6O2S.2C26H19F3N6O2S/c1-2-36-24(23(21-14-15-32-27(31)33-21)34-26(36)16-8-4-3-5-9-16)17-10-6-13-20(22(17)30)35-39(37,38)25-18(28)11-7-12-19(25)29;1-2-36-24(21-14-15-32-27(31)33-21)23(34-26(36)16-8-4-3-5-9-16)17-10-6-13-20(22(17)30)35-39(37,38)25-18(28)11-7-12-19(25)29;1-35-23(22(20-13-14-31-26(30)32-20)33-25(35)15-7-3-2-4-8-15)16-9-5-12-19(21(16)29)34-38(36,37)24-17(27)10-6-11-18(24)28;1-35-23(20-13-14-31-26(30)32-20)22(33-25(35)15-7-3-2-4-8-15)16-9-5-12-19(21(16)29)34-38(36,37)24-17(27)10-6-11-18(24)28/h2*3-15,35H,2H2,1H3,(H2,31,32,33);2*2-14,34H,1H3,(H2,30,31,32)
InChIKeyHGQCEWUYJTWUOU-UHFFFAOYSA-N
MW2174.21 g/mol
LogP21.01
Rot. Bonds26

About N-[3-[5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

N-[3-[5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide (PubChem CID 163611887) has the molecular formula C106H80F12N24O8S4 and a molecular weight of 2174.21 g/mol. Its IUPAC name is N-[3-[5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
PubChem CID163611887
Molecular FormulaC106H80F12N24O8S4
Molecular Weight2174.21 g/mol
Exact Mass2172.53
IUPAC NameN-[3-[5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
SMILESCCn1c(-c2ccccc2)nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c1-c1ccnc(N)n1.CCn1c(-c2ccccc2)nc(-c2ccnc(N)n2)c1-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F.Cn1c(-c2ccccc2)nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c1-c1ccnc(N)n1.Cn1c(-c2ccccc2)nc(-c2ccnc(N)n2)c1-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
InChIInChI=1S/2C27H21F3N6O2S.2C26H19F3N6O2S/c1-2-36-24(23(21-14-15-32-27(31)33-21)34-26(36)16-8-4-3-5-9-16)17-10-6-13-20(22(17)30)35-39(37,38)25-18(28)11-7-12-19(25)29;1-2-36-24(21-14-15-32-27(31)33-21)23(34-26(36)16-8-4-3-5-9-16)17-10-6-13-20(22(17)30)35-39(37,38)25-18(28)11-7-12-19(25)29;1-35-23(22(20-13-14-31-26(30)32-20)33-25(35)15-7-3-2-4-8-15)16-9-5-12-19(21(16)29)34-38(36,37)24-17(27)10-6-11-18(24)28;1-35-23(20-13-14-31-26(30)32-20)22(33-25(35)15-7-3-2-4-8-15)16-9-5-12-19(21(16)29)34-38(36,37)24-17(27)10-6-11-18(24)28/h2*3-15,35H,2H2,1H3,(H2,31,32,33);2*2-14,34H,1H3,(H2,30,31,32)
InChIKeyHGQCEWUYJTWUOU-UHFFFAOYSA-N
XLogP21.01
TPSA463.16 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002174.21
LogP ≤ 521.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze N-[3-[5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[3-[5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide (CID 163611887) is N-[3-[5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-[5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide is CCn1c(-c2ccccc2)nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c1-c1ccnc(N)n1.CCn1c(-c2ccccc2)nc(-c2ccnc(N)n2)c1-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F.Cn1c(-c2ccccc2)nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c1-c1ccnc(N)n1.Cn1c(-c2ccccc2)nc(-c2ccnc(N)n2)c1-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F.
What is the InChIKey of N-[3-[5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is HGQCEWUYJTWUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H21F3N6O2S.2C26H19F3N6O2S/c1-2-36-24(23(21-14-15-32-27(31)33-21)34-26(36)16-8-4-3-5-9-16)17-10-6-13-20(22(17)30)35-39(37,38)25-18(28)11-7-12-19(25)29;1-2-36-24(21-14-15-32-27(31)33-21)23(34-26(36)16-8-4-3-5-9-16)17-10-6-13-20(22(17)30)35-39(37,38)25-18(28)11-7-12-19(25)29;1-35-23(22(20-13-14-31-26(30)32-20)33-25(35)15-7-3-2-4-8-15)16-9-5-12-19(21(16)29)34-38(36,37)24-17(27)10-6-11-18(24)28;1-35-23(20-13-14-31-26(30)32-20)22(33-25(35)15-7-3-2-4-8-15)16-9-5-12-19(21(16)29)34-38(36,37)24-17(27)10-6-11-18(24)28/h2*3-15,35H,2H2,1H3,(H2,31,32,33);2*2-14,34H,1H3,(H2,30,31,32).
What are the key properties of N-[3-[5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide?
N-[3-[5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 2174.21 g/mol, XLogP of 21.01, 26 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-ethyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-3-methyl-2-phenylimidazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 163611887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).