N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide

C15H14Cl2N8O2S — CID 71450646

IUPACN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide
SMILESCc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C15H14Cl2N8O2S/c1-7-21-14(24-15(18)22-7)10-3-8(16)5-20-13(10)23-9-4-11(12(17)19-6-9)25-28(2,26)27/h3-6,25H,1-2H3,(H,20,23)(H2,18,21,22,24)
InChIKeyQNTWFBRDSGVBHE-UHFFFAOYSA-N
MW441.30 g/mol
LogP2.64
Rot. Bonds5

About N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide

N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide (PubChem CID 71450646) has the molecular formula C15H14Cl2N8O2S and a molecular weight of 441.30 g/mol. Its IUPAC name is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide
PubChem CID71450646
Molecular FormulaC15H14Cl2N8O2S
Molecular Weight441.30 g/mol
Exact Mass440.03
IUPAC NameN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide
SMILESCc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C15H14Cl2N8O2S/c1-7-21-14(24-15(18)22-7)10-3-8(16)5-20-13(10)23-9-4-11(12(17)19-6-9)25-28(2,26)27/h3-6,25H,1-2H3,(H,20,23)(H2,18,21,22,24)
InChIKeyQNTWFBRDSGVBHE-UHFFFAOYSA-N
XLogP2.64
TPSA148.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.30
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide (CID 71450646) is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide is Cc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1.
What is the InChIKey of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide?
The InChIKey is QNTWFBRDSGVBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N8O2S/c1-7-21-14(24-15(18)22-7)10-3-8(16)5-20-13(10)23-9-4-11(12(17)19-6-9)25-28(2,26)27/h3-6,25H,1-2H3,(H,20,23)(H2,18,21,22,24).
What are the key properties of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide?
N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide has a molecular weight of 441.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 71450646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).