N-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]ethanesulfonamide

C20H22N6O2S — CID 164614319

IUPACN-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2n[nH]c3ccc(-c4nncn4C(C)C)cc23)c1
InChIInChI=1S/C20H22N6O2S/c1-4-29(27,28)25-16-7-5-6-14(10-16)19-17-11-15(8-9-18(17)22-23-19)20-24-21-12-26(20)13(2)3/h5-13,25H,4H2,1-3H3,(H,22,23)
InChIKeyBBYJGCHVDJJRDP-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.83
Rot. Bonds6

About N-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]ethanesulfonamide

N-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]ethanesulfonamide (PubChem CID 164614319) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]ethanesulfonamide
PubChem CID164614319
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC NameN-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2n[nH]c3ccc(-c4nncn4C(C)C)cc23)c1
InChIInChI=1S/C20H22N6O2S/c1-4-29(27,28)25-16-7-5-6-14(10-16)19-17-11-15(8-9-18(17)22-23-19)20-24-21-12-26(20)13(2)3/h5-13,25H,4H2,1-3H3,(H,22,23)
InChIKeyBBYJGCHVDJJRDP-UHFFFAOYSA-N
XLogP3.83
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]ethanesulfonamide (CID 164614319) is N-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(-c2n[nH]c3ccc(-c4nncn4C(C)C)cc23)c1.
What is the InChIKey of N-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]ethanesulfonamide?
The InChIKey is BBYJGCHVDJJRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-4-29(27,28)25-16-7-5-6-14(10-16)19-17-11-15(8-9-18(17)22-23-19)20-24-21-12-26(20)13(2)3/h5-13,25H,4H2,1-3H3,(H,22,23).
What are the key properties of N-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]ethanesulfonamide?
N-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]ethanesulfonamide has a molecular weight of 410.50 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 164614319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).