4-(3-chloroindazol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide

C21H15ClFN3O3S — CID 58975152

IUPAC4-(3-chloroindazol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2nc(Cl)c3ccccc32)cc1
InChIInChI=1S/C21H15ClFN3O3S/c22-20-18-3-1-2-4-19(18)26(25-20)30(28,29)17-11-7-15(8-12-17)21(27)24-13-14-5-9-16(23)10-6-14/h1-12H,13H2,(H,24,27)
InChIKeyPICJCWHZRLHLNR-UHFFFAOYSA-N
MW443.89 g/mol
LogP4.00
Rot. Bonds5

About 4-(3-chloroindazol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide

4-(3-chloroindazol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 58975152) has the molecular formula C21H15ClFN3O3S and a molecular weight of 443.89 g/mol. Its IUPAC name is 4-(3-chloroindazol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-chloroindazol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID58975152
Molecular FormulaC21H15ClFN3O3S
Molecular Weight443.89 g/mol
Exact Mass443.05
IUPAC Name4-(3-chloroindazol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2nc(Cl)c3ccccc32)cc1
InChIInChI=1S/C21H15ClFN3O3S/c22-20-18-3-1-2-4-19(18)26(25-20)30(28,29)17-11-7-15(8-12-17)21(27)24-13-14-5-9-16(23)10-6-14/h1-12H,13H2,(H,24,27)
InChIKeyPICJCWHZRLHLNR-UHFFFAOYSA-N
XLogP4.00
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroindazol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-(3-chloroindazol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide (CID 58975152) is 4-(3-chloroindazol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-(3-chloroindazol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-(3-chloroindazol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide is O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2nc(Cl)c3ccccc32)cc1.
What is the InChIKey of 4-(3-chloroindazol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is PICJCWHZRLHLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O3S/c22-20-18-3-1-2-4-19(18)26(25-20)30(28,29)17-11-7-15(8-12-17)21(27)24-13-14-5-9-16(23)10-6-14/h1-12H,13H2,(H,24,27).
What are the key properties of 4-(3-chloroindazol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide?
4-(3-chloroindazol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 443.89 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroindazol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 58975152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).