4-tert-butyl-N-(4-chloro-2-indazol-1-ylphenyl)benzenesulfonamide

C23H22ClN3O2S — CID 25134804

IUPAC4-tert-butyl-N-(4-chloro-2-indazol-1-ylphenyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2ncc3ccccc32)cc1
InChIInChI=1S/C23H22ClN3O2S/c1-23(2,3)17-8-11-19(12-9-17)30(28,29)26-20-13-10-18(24)14-22(20)27-21-7-5-4-6-16(21)15-25-27/h4-15,26H,1-3H3
InChIKeyQHBXDWFHWARJQG-UHFFFAOYSA-N
MW439.97 g/mol
LogP5.78
Rot. Bonds4

About 4-tert-butyl-N-(4-chloro-2-indazol-1-ylphenyl)benzenesulfonamide

4-tert-butyl-N-(4-chloro-2-indazol-1-ylphenyl)benzenesulfonamide (PubChem CID 25134804) has the molecular formula C23H22ClN3O2S and a molecular weight of 439.97 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-chloro-2-indazol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-chloro-2-indazol-1-ylphenyl)benzenesulfonamide
PubChem CID25134804
Molecular FormulaC23H22ClN3O2S
Molecular Weight439.97 g/mol
Exact Mass439.11
IUPAC Name4-tert-butyl-N-(4-chloro-2-indazol-1-ylphenyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2ncc3ccccc32)cc1
InChIInChI=1S/C23H22ClN3O2S/c1-23(2,3)17-8-11-19(12-9-17)30(28,29)26-20-13-10-18(24)14-22(20)27-21-7-5-4-6-16(21)15-25-27/h4-15,26H,1-3H3
InChIKeyQHBXDWFHWARJQG-UHFFFAOYSA-N
XLogP5.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.97
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-chloro-2-indazol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(4-chloro-2-indazol-1-ylphenyl)benzenesulfonamide (CID 25134804) is 4-tert-butyl-N-(4-chloro-2-indazol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(4-chloro-2-indazol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(4-chloro-2-indazol-1-ylphenyl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2ncc3ccccc32)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-chloro-2-indazol-1-ylphenyl)benzenesulfonamide?
The InChIKey is QHBXDWFHWARJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2S/c1-23(2,3)17-8-11-19(12-9-17)30(28,29)26-20-13-10-18(24)14-22(20)27-21-7-5-4-6-16(21)15-25-27/h4-15,26H,1-3H3.
What are the key properties of 4-tert-butyl-N-(4-chloro-2-indazol-1-ylphenyl)benzenesulfonamide?
4-tert-butyl-N-(4-chloro-2-indazol-1-ylphenyl)benzenesulfonamide has a molecular weight of 439.97 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-chloro-2-indazol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 25134804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).