2,3-dichloro-N-[3-[[6-[3-(4,4-difluoro-2-methylbutan-2-yl)sulfonylindol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2,4-difluorophenyl]benzenesulfonamide

C32H24Cl2F4N6O4S2 — CID 166081399

IUPAC2,3-dichloro-N-[3-[[6-[3-(4,4-difluoro-2-methylbutan-2-yl)sulfonylindol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2,4-difluorophenyl]benzenesulfonamide
SMILESCC(C)(CC(F)F)S(=O)(=O)c1cn(-c2ccc3ncnc(Nc4c(F)ccc(NS(=O)(=O)c5cccc(Cl)c5Cl)c4F)c3n2)c2ccccc12
InChIInChI=1S/C32H24Cl2F4N6O4S2/c1-32(2,14-25(36)37)49(45,46)24-15-44(22-8-4-3-6-17(22)24)26-13-12-21-30(41-26)31(40-16-39-21)42-29-19(35)10-11-20(28(29)38)43-50(47,48)23-9-5-7-18(33)27(23)34/h3-13,15-16,25,43H,14H2,1-2H3,(H,39,40,42)
InChIKeyVXXMUINVCXBLHB-UHFFFAOYSA-N
MW767.61 g/mol
LogP8.31
Rot. Bonds10

About 2,3-dichloro-N-[3-[[6-[3-(4,4-difluoro-2-methylbutan-2-yl)sulfonylindol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2,4-difluorophenyl]benzenesulfonamide

2,3-dichloro-N-[3-[[6-[3-(4,4-difluoro-2-methylbutan-2-yl)sulfonylindol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2,4-difluorophenyl]benzenesulfonamide (PubChem CID 166081399) has the molecular formula C32H24Cl2F4N6O4S2 and a molecular weight of 767.61 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-[[6-[3-(4,4-difluoro-2-methylbutan-2-yl)sulfonylindol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2,4-difluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[3-[[6-[3-(4,4-difluoro-2-methylbutan-2-yl)sulfonylindol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2,4-difluorophenyl]benzenesulfonamide
PubChem CID166081399
Molecular FormulaC32H24Cl2F4N6O4S2
Molecular Weight767.61 g/mol
Exact Mass766.06
IUPAC Name2,3-dichloro-N-[3-[[6-[3-(4,4-difluoro-2-methylbutan-2-yl)sulfonylindol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2,4-difluorophenyl]benzenesulfonamide
SMILESCC(C)(CC(F)F)S(=O)(=O)c1cn(-c2ccc3ncnc(Nc4c(F)ccc(NS(=O)(=O)c5cccc(Cl)c5Cl)c4F)c3n2)c2ccccc12
InChIInChI=1S/C32H24Cl2F4N6O4S2/c1-32(2,14-25(36)37)49(45,46)24-15-44(22-8-4-3-6-17(22)24)26-13-12-21-30(41-26)31(40-16-39-21)42-29-19(35)10-11-20(28(29)38)43-50(47,48)23-9-5-7-18(33)27(23)34/h3-13,15-16,25,43H,14H2,1-2H3,(H,39,40,42)
InChIKeyVXXMUINVCXBLHB-UHFFFAOYSA-N
XLogP8.31
TPSA135.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.61
LogP ≤ 58.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2,3-dichloro-N-[3-[[6-[3-(4,4-difluoro-2-methylbutan-2-yl)sulfonylindol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2,4-difluorophenyl]benzenesulfonamide 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 2,3-dichloro-N-[3-[[6-[3-(4,4-difluoro-2-methylbutan-2-yl)sulfonylindol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2,4-difluorophenyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[3-[[6-[3-(4,4-difluoro-2-methylbutan-2-yl)sulfonylindol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2,4-difluorophenyl]benzenesulfonamide (CID 166081399) is 2,3-dichloro-N-[3-[[6-[3-(4,4-difluoro-2-methylbutan-2-yl)sulfonylindol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2,4-difluorophenyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[3-[[6-[3-(4,4-difluoro-2-methylbutan-2-yl)sulfonylindol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2,4-difluorophenyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[3-[[6-[3-(4,4-difluoro-2-methylbutan-2-yl)sulfonylindol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2,4-difluorophenyl]benzenesulfonamide is CC(C)(CC(F)F)S(=O)(=O)c1cn(-c2ccc3ncnc(Nc4c(F)ccc(NS(=O)(=O)c5cccc(Cl)c5Cl)c4F)c3n2)c2ccccc12.
What is the InChIKey of 2,3-dichloro-N-[3-[[6-[3-(4,4-difluoro-2-methylbutan-2-yl)sulfonylindol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2,4-difluorophenyl]benzenesulfonamide?
The InChIKey is VXXMUINVCXBLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24Cl2F4N6O4S2/c1-32(2,14-25(36)37)49(45,46)24-15-44(22-8-4-3-6-17(22)24)26-13-12-21-30(41-26)31(40-16-39-21)42-29-19(35)10-11-20(28(29)38)43-50(47,48)23-9-5-7-18(33)27(23)34/h3-13,15-16,25,43H,14H2,1-2H3,(H,39,40,42).
What are the key properties of 2,3-dichloro-N-[3-[[6-[3-(4,4-difluoro-2-methylbutan-2-yl)sulfonylindol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2,4-difluorophenyl]benzenesulfonamide?
2,3-dichloro-N-[3-[[6-[3-(4,4-difluoro-2-methylbutan-2-yl)sulfonylindol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2,4-difluorophenyl]benzenesulfonamide has a molecular weight of 767.61 g/mol, XLogP of 8.31, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[3-[[6-[3-(4,4-difluoro-2-methylbutan-2-yl)sulfonylindol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2,4-difluorophenyl]benzenesulfonamide is sourced from PubChem (CID 166081399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).