N-[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]ethanesulfonamide

C23H20N6O2S — CID 71610586

IUPACN-[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1
InChIInChI=1S/C23H20N6O2S/c1-2-32(30,31)29-17-6-3-5-15(11-17)16-9-10-20-18(12-16)23(25-14-24-20)27-21-7-4-8-22-19(21)13-26-28-22/h3-14,29H,2H2,1H3,(H,26,28)(H,24,25,27)
InChIKeyRBUXMTQMUHLZQE-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.68
Rot. Bonds6

About N-[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]ethanesulfonamide

N-[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]ethanesulfonamide (PubChem CID 71610586) has the molecular formula C23H20N6O2S and a molecular weight of 444.52 g/mol. Its IUPAC name is N-[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]ethanesulfonamide
PubChem CID71610586
Molecular FormulaC23H20N6O2S
Molecular Weight444.52 g/mol
Exact Mass444.14
IUPAC NameN-[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1
InChIInChI=1S/C23H20N6O2S/c1-2-32(30,31)29-17-6-3-5-15(11-17)16-9-10-20-18(12-16)23(25-14-24-20)27-21-7-4-8-22-19(21)13-26-28-22/h3-14,29H,2H2,1H3,(H,26,28)(H,24,25,27)
InChIKeyRBUXMTQMUHLZQE-UHFFFAOYSA-N
XLogP4.68
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]ethanesulfonamide (CID 71610586) is N-[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1.
What is the InChIKey of N-[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]ethanesulfonamide?
The InChIKey is RBUXMTQMUHLZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S/c1-2-32(30,31)29-17-6-3-5-15(11-17)16-9-10-20-18(12-16)23(25-14-24-20)27-21-7-4-8-22-19(21)13-26-28-22/h3-14,29H,2H2,1H3,(H,26,28)(H,24,25,27).
What are the key properties of N-[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]ethanesulfonamide?
N-[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]ethanesulfonamide has a molecular weight of 444.52 g/mol, XLogP of 4.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 71610586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).