4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide

C18H16N6O2S — CID 170352013

IUPAC4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide
SMILESNc1cc(-c2cc(-c3ccc(S(N)(=O)=O)cc3)c3[nH]nc(N)c3c2)ccn1
InChIInChI=1S/C18H16N6O2S/c19-16-9-11(5-6-22-16)12-7-14(17-15(8-12)18(20)24-23-17)10-1-3-13(4-2-10)27(21,25)26/h1-9H,(H2,19,22)(H3,20,23,24)(H2,21,25,26)
InChIKeyJJNWPHKAISOVDH-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.10
Rot. Bonds3

About 4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide

4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide (PubChem CID 170352013) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide
PubChem CID170352013
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC Name4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide
SMILESNc1cc(-c2cc(-c3ccc(S(N)(=O)=O)cc3)c3[nH]nc(N)c3c2)ccn1
InChIInChI=1S/C18H16N6O2S/c19-16-9-11(5-6-22-16)12-7-14(17-15(8-12)18(20)24-23-17)10-1-3-13(4-2-10)27(21,25)26/h1-9H,(H2,19,22)(H3,20,23,24)(H2,21,25,26)
InChIKeyJJNWPHKAISOVDH-UHFFFAOYSA-N
XLogP2.10
TPSA153.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide?
The IUPAC name of 4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide (CID 170352013) is 4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide is Nc1cc(-c2cc(-c3ccc(S(N)(=O)=O)cc3)c3[nH]nc(N)c3c2)ccn1.
What is the InChIKey of 4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide?
The InChIKey is JJNWPHKAISOVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c19-16-9-11(5-6-22-16)12-7-14(17-15(8-12)18(20)24-23-17)10-1-3-13(4-2-10)27(21,25)26/h1-9H,(H2,19,22)(H3,20,23,24)(H2,21,25,26).
What are the key properties of 4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide?
4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide is sourced from PubChem (CID 170352013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).