6-chloro-N-[5-(difluoromethoxy)-4-methoxy-6-methylsulfanylpyrimidin-2-yl]-1H-indole-3-sulfonamide

C15H13ClF2N4O4S2 — CID 164907926

IUPAC6-chloro-N-[5-(difluoromethoxy)-4-methoxy-6-methylsulfanylpyrimidin-2-yl]-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(SC)c1OC(F)F
InChIInChI=1S/C15H13ClF2N4O4S2/c1-25-12-11(26-14(17)18)13(27-2)21-15(20-12)22-28(23,24)10-6-19-9-5-7(16)3-4-8(9)10/h3-6,14,19H,1-2H3,(H,20,21,22)
InChIKeyMDERDUNFFMZULC-UHFFFAOYSA-N
MW450.88 g/mol
LogP3.74
Rot. Bonds7

About 6-chloro-N-[5-(difluoromethoxy)-4-methoxy-6-methylsulfanylpyrimidin-2-yl]-1H-indole-3-sulfonamide

6-chloro-N-[5-(difluoromethoxy)-4-methoxy-6-methylsulfanylpyrimidin-2-yl]-1H-indole-3-sulfonamide (PubChem CID 164907926) has the molecular formula C15H13ClF2N4O4S2 and a molecular weight of 450.88 g/mol. Its IUPAC name is 6-chloro-N-[5-(difluoromethoxy)-4-methoxy-6-methylsulfanylpyrimidin-2-yl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[5-(difluoromethoxy)-4-methoxy-6-methylsulfanylpyrimidin-2-yl]-1H-indole-3-sulfonamide
PubChem CID164907926
Molecular FormulaC15H13ClF2N4O4S2
Molecular Weight450.88 g/mol
Exact Mass450.00
IUPAC Name6-chloro-N-[5-(difluoromethoxy)-4-methoxy-6-methylsulfanylpyrimidin-2-yl]-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(SC)c1OC(F)F
InChIInChI=1S/C15H13ClF2N4O4S2/c1-25-12-11(26-14(17)18)13(27-2)21-15(20-12)22-28(23,24)10-6-19-9-5-7(16)3-4-8(9)10/h3-6,14,19H,1-2H3,(H,20,21,22)
InChIKeyMDERDUNFFMZULC-UHFFFAOYSA-N
XLogP3.74
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-N-[5-(difluoromethoxy)-4-methoxy-6-methylsulfanylpyrimidin-2-yl]-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(difluoromethoxy)-4-methoxy-6-methylsulfanylpyrimidin-2-yl]-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-[5-(difluoromethoxy)-4-methoxy-6-methylsulfanylpyrimidin-2-yl]-1H-indole-3-sulfonamide (CID 164907926) is 6-chloro-N-[5-(difluoromethoxy)-4-methoxy-6-methylsulfanylpyrimidin-2-yl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[5-(difluoromethoxy)-4-methoxy-6-methylsulfanylpyrimidin-2-yl]-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[5-(difluoromethoxy)-4-methoxy-6-methylsulfanylpyrimidin-2-yl]-1H-indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(SC)c1OC(F)F.
What is the InChIKey of 6-chloro-N-[5-(difluoromethoxy)-4-methoxy-6-methylsulfanylpyrimidin-2-yl]-1H-indole-3-sulfonamide?
The InChIKey is MDERDUNFFMZULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N4O4S2/c1-25-12-11(26-14(17)18)13(27-2)21-15(20-12)22-28(23,24)10-6-19-9-5-7(16)3-4-8(9)10/h3-6,14,19H,1-2H3,(H,20,21,22).
What are the key properties of 6-chloro-N-[5-(difluoromethoxy)-4-methoxy-6-methylsulfanylpyrimidin-2-yl]-1H-indole-3-sulfonamide?
6-chloro-N-[5-(difluoromethoxy)-4-methoxy-6-methylsulfanylpyrimidin-2-yl]-1H-indole-3-sulfonamide has a molecular weight of 450.88 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(difluoromethoxy)-4-methoxy-6-methylsulfanylpyrimidin-2-yl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 164907926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).