N-[4-[3-[3-[5-[4-(methanesulfonamido)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]methanesulfonamide

C24H22N8O4S2 — CID 118529756

IUPACN-[4-[3-[3-[5-[4-(methanesulfonamido)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2nc(-c3cccc(-c4n[nH]c(-c5ccc(NS(C)(=O)=O)cc5)n4)c3)n[nH]2)cc1
InChIInChI=1S/C24H22N8O4S2/c1-37(33,34)31-19-10-6-15(7-11-19)21-25-23(29-27-21)17-4-3-5-18(14-17)24-26-22(28-30-24)16-8-12-20(13-9-16)32-38(2,35)36/h3-14,31-32H,1-2H3,(H,25,27,29)(H,26,28,30)
InChIKeyOGILVEHLYYSYPF-UHFFFAOYSA-N
MW550.63 g/mol
LogP3.33
Rot. Bonds8

About N-[4-[3-[3-[5-[4-(methanesulfonamido)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]methanesulfonamide

N-[4-[3-[3-[5-[4-(methanesulfonamido)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]methanesulfonamide (PubChem CID 118529756) has the molecular formula C24H22N8O4S2 and a molecular weight of 550.63 g/mol. Its IUPAC name is N-[4-[3-[3-[5-[4-(methanesulfonamido)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-[3-[5-[4-(methanesulfonamido)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]methanesulfonamide
PubChem CID118529756
Molecular FormulaC24H22N8O4S2
Molecular Weight550.63 g/mol
Exact Mass550.12
IUPAC NameN-[4-[3-[3-[5-[4-(methanesulfonamido)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2nc(-c3cccc(-c4n[nH]c(-c5ccc(NS(C)(=O)=O)cc5)n4)c3)n[nH]2)cc1
InChIInChI=1S/C24H22N8O4S2/c1-37(33,34)31-19-10-6-15(7-11-19)21-25-23(29-27-21)17-4-3-5-18(14-17)24-26-22(28-30-24)16-8-12-20(13-9-16)32-38(2,35)36/h3-14,31-32H,1-2H3,(H,25,27,29)(H,26,28,30)
InChIKeyOGILVEHLYYSYPF-UHFFFAOYSA-N
XLogP3.33
TPSA175.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.63
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[4-[3-[3-[5-[4-(methanesulfonamido)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]methanesulfonamide with MolForge

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Related Compounds

5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529375
3-(methanesulfonamido)-4-methyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 166231057
4-[3-[3-[5-[4-(diethylamino)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]-N,N-diethylaniline
CID 118529717
4-methylsulfonyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]thiophene-2-carboxamide
CID 166192784
3-(3-bromophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole
CID 918292
5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529706
3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
CID 150089010
5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529464
2-methyl-5-methylsulfonyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 166231046
3-(3-methylphenyl)-5-(4-nitrophenyl)-1H-1,2,4-triazole
CID 43826555
3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine
CID 118529419
N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide
CID 118529738

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[3-[5-[4-(methanesulfonamido)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-[3-[5-[4-(methanesulfonamido)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]methanesulfonamide (CID 118529756) is N-[4-[3-[3-[5-[4-(methanesulfonamido)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-[3-[5-[4-(methanesulfonamido)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-[3-[5-[4-(methanesulfonamido)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2nc(-c3cccc(-c4n[nH]c(-c5ccc(NS(C)(=O)=O)cc5)n4)c3)n[nH]2)cc1.
What is the InChIKey of N-[4-[3-[3-[5-[4-(methanesulfonamido)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is OGILVEHLYYSYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O4S2/c1-37(33,34)31-19-10-6-15(7-11-19)21-25-23(29-27-21)17-4-3-5-18(14-17)24-26-22(28-30-24)16-8-12-20(13-9-16)32-38(2,35)36/h3-14,31-32H,1-2H3,(H,25,27,29)(H,26,28,30).
What are the key properties of N-[4-[3-[3-[5-[4-(methanesulfonamido)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]methanesulfonamide?
N-[4-[3-[3-[5-[4-(methanesulfonamido)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 550.63 g/mol, XLogP of 3.33, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[3-[5-[4-(methanesulfonamido)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 118529756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).