N-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide

C20H16ClN3O2S — CID 11741547

IUPACN-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C20H16ClN3O2S/c21-18-12-19-17(11-16(18)15-9-5-2-6-10-15)20(23-22-19)24-27(25,26)13-14-7-3-1-4-8-14/h1-12H,13H2,(H2,22,23,24)
InChIKeyLVCJQCGUZIRJNP-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.83
Rot. Bonds5

About N-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide

N-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide (PubChem CID 11741547) has the molecular formula C20H16ClN3O2S and a molecular weight of 397.89 g/mol. Its IUPAC name is N-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide
PubChem CID11741547
Molecular FormulaC20H16ClN3O2S
Molecular Weight397.89 g/mol
Exact Mass397.07
IUPAC NameN-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C20H16ClN3O2S/c21-18-12-19-17(11-16(18)15-9-5-2-6-10-15)20(23-22-19)24-27(25,26)13-14-7-3-1-4-8-14/h1-12H,13H2,(H2,22,23,24)
InChIKeyLVCJQCGUZIRJNP-UHFFFAOYSA-N
XLogP4.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide (CID 11741547) is N-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.
What is the InChIKey of N-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide?
The InChIKey is LVCJQCGUZIRJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S/c21-18-12-19-17(11-16(18)15-9-5-2-6-10-15)20(23-22-19)24-27(25,26)13-14-7-3-1-4-8-14/h1-12H,13H2,(H2,22,23,24).
What are the key properties of N-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide?
N-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide has a molecular weight of 397.89 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 11741547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).