N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-fluoro-1H-indole-3-sulfonamide

C15H13F3N4O3S — CID 164907859

IUPACN-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-fluoro-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(F)ccc23)ncc1CC(F)F
InChIInChI=1S/C15H13F3N4O3S/c1-25-14-8(4-13(17)18)6-20-15(21-14)22-26(23,24)12-7-19-11-5-9(16)2-3-10(11)12/h2-3,5-7,13,19H,4H2,1H3,(H,20,21,22)
InChIKeyNKEPIZXEYOAVJW-UHFFFAOYSA-N
MW386.36 g/mol
LogP2.71
Rot. Bonds6

About N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-fluoro-1H-indole-3-sulfonamide

N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-fluoro-1H-indole-3-sulfonamide (PubChem CID 164907859) has the molecular formula C15H13F3N4O3S and a molecular weight of 386.36 g/mol. Its IUPAC name is N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-fluoro-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-fluoro-1H-indole-3-sulfonamide
PubChem CID164907859
Molecular FormulaC15H13F3N4O3S
Molecular Weight386.36 g/mol
Exact Mass386.07
IUPAC NameN-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-fluoro-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(F)ccc23)ncc1CC(F)F
InChIInChI=1S/C15H13F3N4O3S/c1-25-14-8(4-13(17)18)6-20-15(21-14)22-26(23,24)12-7-19-11-5-9(16)2-3-10(11)12/h2-3,5-7,13,19H,4H2,1H3,(H,20,21,22)
InChIKeyNKEPIZXEYOAVJW-UHFFFAOYSA-N
XLogP2.71
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-fluoro-1H-indole-3-sulfonamide 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-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N'-(4-methoxy-2-pyridinyl)propane-1,3-diamine
CID 44534618
US20240025883, Example 240
CID 164907834
US20240025883, Example 59
CID 164907852
US20240025883, Example 64
CID 164907860
US20240025883, Example 235
CID 164907886
US20240025883, Example 191
CID 164907896
US20240025883, Example 234
CID 164907898
US20240025883, Example 42
CID 164907904
US20240025883, Example 210
CID 164907913
US20240025883, Example 232
CID 164907941
US20240025883, Example 262
CID 164907946
US20240025883, Example 63
CID 164907951

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-fluoro-1H-indole-3-sulfonamide?
The IUPAC name of N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-fluoro-1H-indole-3-sulfonamide (CID 164907859) is N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-fluoro-1H-indole-3-sulfonamide.
What is the SMILES notation for N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-fluoro-1H-indole-3-sulfonamide?
The canonical SMILES for N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-fluoro-1H-indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3cc(F)ccc23)ncc1CC(F)F.
What is the InChIKey of N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-fluoro-1H-indole-3-sulfonamide?
The InChIKey is NKEPIZXEYOAVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3S/c1-25-14-8(4-13(17)18)6-20-15(21-14)22-26(23,24)12-7-19-11-5-9(16)2-3-10(11)12/h2-3,5-7,13,19H,4H2,1H3,(H,20,21,22).
What are the key properties of N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-fluoro-1H-indole-3-sulfonamide?
N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-fluoro-1H-indole-3-sulfonamide has a molecular weight of 386.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-fluoro-1H-indole-3-sulfonamide is sourced from PubChem (CID 164907859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).