3-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide

C17H20N4O2S — CID 44570435

IUPAC3-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3[nH]nc(N)c3c2)c1
InChIInChI=1S/C17H20N4O2S/c1-17(2,3)21-24(22,23)13-6-4-5-11(9-13)12-7-8-15-14(10-12)16(18)20-19-15/h4-10,21H,1-3H3,(H3,18,19,20)
InChIKeyVPKLJPDVIXYRRU-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.89
Rot. Bonds3

About 3-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide

3-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide (PubChem CID 44570435) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name3-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
PubChem CID44570435
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name3-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3[nH]nc(N)c3c2)c1
InChIInChI=1S/C17H20N4O2S/c1-17(2,3)21-24(22,23)13-6-4-5-11(9-13)12-7-8-15-14(10-12)16(18)20-19-15/h4-10,21H,1-3H3,(H3,18,19,20)
InChIKeyVPKLJPDVIXYRRU-UHFFFAOYSA-N
XLogP2.89
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide?
The IUPAC name of 3-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide (CID 44570435) is 3-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide.
What is the SMILES notation for 3-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide?
The canonical SMILES for 3-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3[nH]nc(N)c3c2)c1.
What is the InChIKey of 3-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide?
The InChIKey is VPKLJPDVIXYRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-17(2,3)21-24(22,23)13-6-4-5-11(9-13)12-7-8-15-14(10-12)16(18)20-19-15/h4-10,21H,1-3H3,(H3,18,19,20).
What are the key properties of 3-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide?
3-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide is sourced from PubChem (CID 44570435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).