6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide

C16H14ClN5O5S — CID 175471157

IUPAC6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide
SMILESCOc1nc(-n2cc(S(N)(=O)=O)c3ccc(Cl)cc32)nc(OC)c1OCC#N
InChIInChI=1S/C16H14ClN5O5S/c1-25-14-13(27-6-5-18)15(26-2)21-16(20-14)22-8-12(28(19,23)24)10-4-3-9(17)7-11(10)22/h3-4,7-8H,6H2,1-2H3,(H2,19,23,24)
InChIKeyTZOSTEMRTOKSFM-UHFFFAOYSA-N
MW423.84 g/mol
LogP1.64
Rot. Bonds6

About 6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide

6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide (PubChem CID 175471157) has the molecular formula C16H14ClN5O5S and a molecular weight of 423.84 g/mol. Its IUPAC name is 6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide
PubChem CID175471157
Molecular FormulaC16H14ClN5O5S
Molecular Weight423.84 g/mol
Exact Mass423.04
IUPAC Name6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide
SMILESCOc1nc(-n2cc(S(N)(=O)=O)c3ccc(Cl)cc32)nc(OC)c1OCC#N
InChIInChI=1S/C16H14ClN5O5S/c1-25-14-13(27-6-5-18)15(26-2)21-16(20-14)22-8-12(28(19,23)24)10-4-3-9(17)7-11(10)22/h3-4,7-8H,6H2,1-2H3,(H2,19,23,24)
InChIKeyTZOSTEMRTOKSFM-UHFFFAOYSA-N
XLogP1.64
TPSA142.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.84
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]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-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide?
The IUPAC name of 6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide (CID 175471157) is 6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide?
The canonical SMILES for 6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide is COc1nc(-n2cc(S(N)(=O)=O)c3ccc(Cl)cc32)nc(OC)c1OCC#N.
What is the InChIKey of 6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide?
The InChIKey is TZOSTEMRTOKSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O5S/c1-25-14-13(27-6-5-18)15(26-2)21-16(20-14)22-8-12(28(19,23)24)10-4-3-9(17)7-11(10)22/h3-4,7-8H,6H2,1-2H3,(H2,19,23,24).
What are the key properties of 6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide?
6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide has a molecular weight of 423.84 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide is sourced from PubChem (CID 175471157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).