3-[[4-[[2,3-bis(ethenyl)indazol-6-yl]-ethenylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide

C22H20N8O2S — CID 163704026

IUPAC3-[[4-[[2,3-bis(ethenyl)indazol-6-yl]-ethenylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide
SMILESC=Cc1c2ccc(N(C=C)c3ncnc(Nc4cccc(S(N)(=O)=O)c4)n3)cc2nn1C=C
InChIInChI=1S/C22H20N8O2S/c1-4-20-18-11-10-16(13-19(18)28-30(20)6-3)29(5-2)22-25-14-24-21(27-22)26-15-8-7-9-17(12-15)33(23,31)32/h4-14H,1-3H2,(H2,23,31,32)(H,24,25,26,27)
InChIKeyKDMHNIQZCPXUBW-UHFFFAOYSA-N
MW460.52 g/mol
LogP3.64
Rot. Bonds8

About 3-[[4-[[2,3-bis(ethenyl)indazol-6-yl]-ethenylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide

3-[[4-[[2,3-bis(ethenyl)indazol-6-yl]-ethenylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide (PubChem CID 163704026) has the molecular formula C22H20N8O2S and a molecular weight of 460.52 g/mol. Its IUPAC name is 3-[[4-[[2,3-bis(ethenyl)indazol-6-yl]-ethenylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[4-[[2,3-bis(ethenyl)indazol-6-yl]-ethenylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide
PubChem CID163704026
Molecular FormulaC22H20N8O2S
Molecular Weight460.52 g/mol
Exact Mass460.14
IUPAC Name3-[[4-[[2,3-bis(ethenyl)indazol-6-yl]-ethenylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide
SMILESC=Cc1c2ccc(N(C=C)c3ncnc(Nc4cccc(S(N)(=O)=O)c4)n3)cc2nn1C=C
InChIInChI=1S/C22H20N8O2S/c1-4-20-18-11-10-16(13-19(18)28-30(20)6-3)29(5-2)22-25-14-24-21(27-22)26-15-8-7-9-17(12-15)33(23,31)32/h4-14H,1-3H2,(H2,23,31,32)(H,24,25,26,27)
InChIKeyKDMHNIQZCPXUBW-UHFFFAOYSA-N
XLogP3.64
TPSA131.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[[4-[[2,3-bis(ethenyl)indazol-6-yl]-ethenylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide
CID 10296889
5-[[4-[(3-ethenyl-2-methylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 123807787
3-[[4-(1H-benzimidazol-4-yl)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
CID 24962848
3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide
CID 153326122
3-[[4-(3-aminoanilino)-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 59174760
3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347156
3-[[4-[(2-cyclopropylsulfonyl-1,3-dihydroisoindol-5-yl)amino]-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 69262841
3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 10475912
3-[[4-[[2-(4-tert-butylanilino)-1-methylbenzimidazol-5-yl]-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 10312544
3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide
CID 11611670
3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
CID 4782547
3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 171849376

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[2,3-bis(ethenyl)indazol-6-yl]-ethenylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 3-[[4-[[2,3-bis(ethenyl)indazol-6-yl]-ethenylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide (CID 163704026) is 3-[[4-[[2,3-bis(ethenyl)indazol-6-yl]-ethenylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[4-[[2,3-bis(ethenyl)indazol-6-yl]-ethenylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[4-[[2,3-bis(ethenyl)indazol-6-yl]-ethenylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide is C=Cc1c2ccc(N(C=C)c3ncnc(Nc4cccc(S(N)(=O)=O)c4)n3)cc2nn1C=C.
What is the InChIKey of 3-[[4-[[2,3-bis(ethenyl)indazol-6-yl]-ethenylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The InChIKey is KDMHNIQZCPXUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O2S/c1-4-20-18-11-10-16(13-19(18)28-30(20)6-3)29(5-2)22-25-14-24-21(27-22)26-15-8-7-9-17(12-15)33(23,31)32/h4-14H,1-3H2,(H2,23,31,32)(H,24,25,26,27).
What are the key properties of 3-[[4-[[2,3-bis(ethenyl)indazol-6-yl]-ethenylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
3-[[4-[[2,3-bis(ethenyl)indazol-6-yl]-ethenylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide has a molecular weight of 460.52 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[2,3-bis(ethenyl)indazol-6-yl]-ethenylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 163704026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).