N,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide

C21H21N5O4S2 — CID 59186272

IUPACN,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)cc1
InChIInChI=1S/C21H21N5O4S2/c1-25(2)32(29,30)17-12-10-16(11-13-17)22-21-23-20-9-5-8-19(26(20)24-21)15-6-4-7-18(14-15)31(3,27)28/h4-14H,1-3H3,(H,22,24)
InChIKeyRGQADMOSLPDPBP-UHFFFAOYSA-N
MW471.56 g/mol
LogP2.79
Rot. Bonds6

About N,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide

N,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide (PubChem CID 59186272) has the molecular formula C21H21N5O4S2 and a molecular weight of 471.56 g/mol. Its IUPAC name is N,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide
PubChem CID59186272
Molecular FormulaC21H21N5O4S2
Molecular Weight471.56 g/mol
Exact Mass471.10
IUPAC NameN,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)cc1
InChIInChI=1S/C21H21N5O4S2/c1-25(2)32(29,30)17-12-10-16(11-13-17)22-21-23-20-9-5-8-19(26(20)24-21)15-6-4-7-18(14-15)31(3,27)28/h4-14H,1-3H3,(H,22,24)
InChIKeyRGQADMOSLPDPBP-UHFFFAOYSA-N
XLogP2.79
TPSA113.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide 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,5-Dimethyl-3-(phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo-[1,5-a]quinazolin-2-amine
CID 44156756
N,9-Dimethyl-3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo-[5,1-b]quinazolin-2-amine
CID 46867521
N-[6-(2-Aminoethyl)-5,7-dimethyl-3-(phenylsulfonyl)pyrazolo[1,5-A]pyrimidin-2-YL]-N-methylamine
CID 46189980
N-{3-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}-8-[4-(methylsulfonyl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 49838516
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[3-(1-methyl-piperidin-4-yl)-phenyl]-amine
CID 57502388
[5-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 59186489
N-cyclopropyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide
CID 90670269
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 49838268
4-[2-[(3-Phenyltriazolo[4,5-b]pyridin-5-yl)amino]ethyl]benzenesulfonamide
CID 57403842
[8-(3-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-phenyl-amine
CID 57502378
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-phenyl-amine
CID 57502379
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[3-(4-methyl-piperazin-1-ylmethyl)-phenyl]-amine
CID 57502383

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide (CID 59186272) is N,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide?
The InChIKey is RGQADMOSLPDPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4S2/c1-25(2)32(29,30)17-12-10-16(11-13-17)22-21-23-20-9-5-8-19(26(20)24-21)15-6-4-7-18(14-15)31(3,27)28/h4-14H,1-3H3,(H,22,24).
What are the key properties of N,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide?
N,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide has a molecular weight of 471.56 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 59186272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).