2-[4-(3-amino-1H-indazol-5-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide

C23H23FN4O2S — CID 90314517

IUPAC2-[4-(3-amino-1H-indazol-5-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3[nH]nc(N)c3c2)c(F)c1
InChIInChI=1S/C23H23FN4O2S/c1-23(2,3)28-31(29,30)21-7-5-4-6-17(21)15-8-10-16(19(24)13-15)14-9-11-20-18(12-14)22(25)27-26-20/h4-13,28H,1-3H3,(H3,25,26,27)
InChIKeyBFEQZAZBLCZIBD-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.70
Rot. Bonds4

About 2-[4-(3-amino-1H-indazol-5-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide

2-[4-(3-amino-1H-indazol-5-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide (PubChem CID 90314517) has the molecular formula C23H23FN4O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-[4-(3-amino-1H-indazol-5-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name2-[4-(3-amino-1H-indazol-5-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide
PubChem CID90314517
Molecular FormulaC23H23FN4O2S
Molecular Weight438.53 g/mol
Exact Mass438.15
IUPAC Name2-[4-(3-amino-1H-indazol-5-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3[nH]nc(N)c3c2)c(F)c1
InChIInChI=1S/C23H23FN4O2S/c1-23(2,3)28-31(29,30)21-7-5-4-6-17(21)15-8-10-16(19(24)13-15)14-9-11-20-18(12-14)22(25)27-26-20/h4-13,28H,1-3H3,(H3,25,26,27)
InChIKeyBFEQZAZBLCZIBD-UHFFFAOYSA-N
XLogP4.70
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 24963047
CID 24963047
CID 118721271
CID 118721271
CID 118721258
CID 118721258
CID 118721263
CID 118721263
CID 118721264
CID 118721264
CID 118721266
CID 118721266
CID 11601868
CID 11601868
CID 164612308
CID 164612308
CID 164617830
CID 164617830
CID 164619084
CID 164619084
CID 118266474
CID 118266474
CID 118266588
CID 118266588

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-1H-indazol-5-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide?
The IUPAC name of 2-[4-(3-amino-1H-indazol-5-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide (CID 90314517) is 2-[4-(3-amino-1H-indazol-5-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide.
What is the SMILES notation for 2-[4-(3-amino-1H-indazol-5-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide?
The canonical SMILES for 2-[4-(3-amino-1H-indazol-5-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3[nH]nc(N)c3c2)c(F)c1.
What is the InChIKey of 2-[4-(3-amino-1H-indazol-5-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide?
The InChIKey is BFEQZAZBLCZIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S/c1-23(2,3)28-31(29,30)21-7-5-4-6-17(21)15-8-10-16(19(24)13-15)14-9-11-20-18(12-14)22(25)27-26-20/h4-13,28H,1-3H3,(H3,25,26,27).
What are the key properties of 2-[4-(3-amino-1H-indazol-5-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide?
2-[4-(3-amino-1H-indazol-5-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide has a molecular weight of 438.53 g/mol, XLogP of 4.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-1H-indazol-5-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide is sourced from PubChem (CID 90314517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).