2-[3-cyano-5-fluoro-1-(4-methoxyphenyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide

C23H18F3N5O3S — CID 66730625

IUPAC2-[3-cyano-5-fluoro-1-(4-methoxyphenyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
SMILESCOc1ccc(-n2c(-c3ncc(S(=O)(=O)NC(CF)CF)cn3)c(C#N)c3cc(F)ccc32)cc1
InChIInChI=1S/C23H18F3N5O3S/c1-34-17-5-3-16(4-6-17)31-21-7-2-14(26)8-19(21)20(11-27)22(31)23-28-12-18(13-29-23)35(32,33)30-15(9-24)10-25/h2-8,12-13,15,30H,9-10H2,1H3
InChIKeyHDSYHOVMTKNBKL-UHFFFAOYSA-N
MW501.49 g/mol
LogP3.69
Rot. Bonds8

About 2-[3-cyano-5-fluoro-1-(4-methoxyphenyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide

2-[3-cyano-5-fluoro-1-(4-methoxyphenyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide (PubChem CID 66730625) has the molecular formula C23H18F3N5O3S and a molecular weight of 501.49 g/mol. Its IUPAC name is 2-[3-cyano-5-fluoro-1-(4-methoxyphenyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-[3-cyano-5-fluoro-1-(4-methoxyphenyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
PubChem CID66730625
Molecular FormulaC23H18F3N5O3S
Molecular Weight501.49 g/mol
Exact Mass501.11
IUPAC Name2-[3-cyano-5-fluoro-1-(4-methoxyphenyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
SMILESCOc1ccc(-n2c(-c3ncc(S(=O)(=O)NC(CF)CF)cn3)c(C#N)c3cc(F)ccc32)cc1
InChIInChI=1S/C23H18F3N5O3S/c1-34-17-5-3-16(4-6-17)31-21-7-2-14(26)8-19(21)20(11-27)22(31)23-28-12-18(13-29-23)35(32,33)30-15(9-24)10-25/h2-8,12-13,15,30H,9-10H2,1H3
InChIKeyHDSYHOVMTKNBKL-UHFFFAOYSA-N
XLogP3.69
TPSA109.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-cyano-5-fluoro-1-(4-methoxyphenyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide 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-cyano-5-fluoro-1-(4-methoxyphenyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-[3-cyano-5-fluoro-1-(4-methoxyphenyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide (CID 66730625) is 2-[3-cyano-5-fluoro-1-(4-methoxyphenyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-[3-cyano-5-fluoro-1-(4-methoxyphenyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-[3-cyano-5-fluoro-1-(4-methoxyphenyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide is COc1ccc(-n2c(-c3ncc(S(=O)(=O)NC(CF)CF)cn3)c(C#N)c3cc(F)ccc32)cc1.
What is the InChIKey of 2-[3-cyano-5-fluoro-1-(4-methoxyphenyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
The InChIKey is HDSYHOVMTKNBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O3S/c1-34-17-5-3-16(4-6-17)31-21-7-2-14(26)8-19(21)20(11-27)22(31)23-28-12-18(13-29-23)35(32,33)30-15(9-24)10-25/h2-8,12-13,15,30H,9-10H2,1H3.
What are the key properties of 2-[3-cyano-5-fluoro-1-(4-methoxyphenyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
2-[3-cyano-5-fluoro-1-(4-methoxyphenyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide has a molecular weight of 501.49 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-5-fluoro-1-(4-methoxyphenyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 66730625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).