4-[[5-morpholin-4-yl-4-[(1-propan-2-yl-1,2,4-triazol-3-yl)amino]-2-pyridinyl]amino]benzenesulfonamide

C20H26N8O3S — CID 11351588

IUPAC4-[[5-morpholin-4-yl-4-[(1-propan-2-yl-1,2,4-triazol-3-yl)amino]-2-pyridinyl]amino]benzenesulfonamide
SMILESCC(C)n1cnc(Nc2cc(Nc3ccc(S(N)(=O)=O)cc3)ncc2N2CCOCC2)n1
InChIInChI=1S/C20H26N8O3S/c1-14(2)28-13-23-20(26-28)25-17-11-19(22-12-18(17)27-7-9-31-10-8-27)24-15-3-5-16(6-4-15)32(21,29)30/h3-6,11-14H,7-10H2,1-2H3,(H2,21,29,30)(H2,22,24,25,26)
InChIKeyXLVREIAKIKGCBP-UHFFFAOYSA-N
MW458.55 g/mol
LogP2.23
Rot. Bonds7

About 4-[[5-morpholin-4-yl-4-[(1-propan-2-yl-1,2,4-triazol-3-yl)amino]-2-pyridinyl]amino]benzenesulfonamide

4-[[5-morpholin-4-yl-4-[(1-propan-2-yl-1,2,4-triazol-3-yl)amino]-2-pyridinyl]amino]benzenesulfonamide (PubChem CID 11351588) has the molecular formula C20H26N8O3S and a molecular weight of 458.55 g/mol. Its IUPAC name is 4-[[5-morpholin-4-yl-4-[(1-propan-2-yl-1,2,4-triazol-3-yl)amino]-2-pyridinyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-morpholin-4-yl-4-[(1-propan-2-yl-1,2,4-triazol-3-yl)amino]-2-pyridinyl]amino]benzenesulfonamide
PubChem CID11351588
Molecular FormulaC20H26N8O3S
Molecular Weight458.55 g/mol
Exact Mass458.18
IUPAC Name4-[[5-morpholin-4-yl-4-[(1-propan-2-yl-1,2,4-triazol-3-yl)amino]-2-pyridinyl]amino]benzenesulfonamide
SMILESCC(C)n1cnc(Nc2cc(Nc3ccc(S(N)(=O)=O)cc3)ncc2N2CCOCC2)n1
InChIInChI=1S/C20H26N8O3S/c1-14(2)28-13-23-20(26-28)25-17-11-19(22-12-18(17)27-7-9-31-10-8-27)24-15-3-5-16(6-4-15)32(21,29)30/h3-6,11-14H,7-10H2,1-2H3,(H2,21,29,30)(H2,22,24,25,26)
InChIKeyXLVREIAKIKGCBP-UHFFFAOYSA-N
XLogP2.23
TPSA140.29 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-[[5-morpholin-4-yl-4-[(1-propan-2-yl-1,2,4-triazol-3-yl)amino]-2-pyridinyl]amino]benzenesulfonamide with MolForge

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Related Compounds

4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 58891146
4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
CID 6539631
5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine
CID 59353190
4-[[7-(3-methyl-4-morpholin-4-ylanilino)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]amino]benzenesulfonamide
CID 89145726
4-(morpholin-4-ylamino)benzenesulfonamide
CID 83026277
N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268105
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
N-(6-morpholin-4-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
CID 90544119
4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67101719
2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid
CID 119358812
N-(5-methoxy-4-morpholin-4-yl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 172600600
4-[2-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]phenyl]morpholine
CID 113035765

Frequently Asked Questions

What is the IUPAC name of 4-[[5-morpholin-4-yl-4-[(1-propan-2-yl-1,2,4-triazol-3-yl)amino]-2-pyridinyl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-morpholin-4-yl-4-[(1-propan-2-yl-1,2,4-triazol-3-yl)amino]-2-pyridinyl]amino]benzenesulfonamide (CID 11351588) is 4-[[5-morpholin-4-yl-4-[(1-propan-2-yl-1,2,4-triazol-3-yl)amino]-2-pyridinyl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-morpholin-4-yl-4-[(1-propan-2-yl-1,2,4-triazol-3-yl)amino]-2-pyridinyl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-morpholin-4-yl-4-[(1-propan-2-yl-1,2,4-triazol-3-yl)amino]-2-pyridinyl]amino]benzenesulfonamide is CC(C)n1cnc(Nc2cc(Nc3ccc(S(N)(=O)=O)cc3)ncc2N2CCOCC2)n1.
What is the InChIKey of 4-[[5-morpholin-4-yl-4-[(1-propan-2-yl-1,2,4-triazol-3-yl)amino]-2-pyridinyl]amino]benzenesulfonamide?
The InChIKey is XLVREIAKIKGCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O3S/c1-14(2)28-13-23-20(26-28)25-17-11-19(22-12-18(17)27-7-9-31-10-8-27)24-15-3-5-16(6-4-15)32(21,29)30/h3-6,11-14H,7-10H2,1-2H3,(H2,21,29,30)(H2,22,24,25,26).
What are the key properties of 4-[[5-morpholin-4-yl-4-[(1-propan-2-yl-1,2,4-triazol-3-yl)amino]-2-pyridinyl]amino]benzenesulfonamide?
4-[[5-morpholin-4-yl-4-[(1-propan-2-yl-1,2,4-triazol-3-yl)amino]-2-pyridinyl]amino]benzenesulfonamide has a molecular weight of 458.55 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-morpholin-4-yl-4-[(1-propan-2-yl-1,2,4-triazol-3-yl)amino]-2-pyridinyl]amino]benzenesulfonamide is sourced from PubChem (CID 11351588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).