N-(4-cyanophenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide

C20H13FN4O2S — CID 164612308

IUPACN-(4-cyanophenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1
InChIInChI=1S/C20H13FN4O2S/c21-15-6-9-18-19(11-15)23-24-20(18)14-2-1-3-17(10-14)28(26,27)25-16-7-4-13(12-22)5-8-16/h1-11,25H,(H,23,24)
InChIKeyVGPGKIIJWSLZSG-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.04
Rot. Bonds4

About N-(4-cyanophenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide

N-(4-cyanophenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide (PubChem CID 164612308) has the molecular formula C20H13FN4O2S and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
PubChem CID164612308
Molecular FormulaC20H13FN4O2S
Molecular Weight392.42 g/mol
Exact Mass392.07
IUPAC NameN-(4-cyanophenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1
InChIInChI=1S/C20H13FN4O2S/c21-15-6-9-18-19(11-15)23-24-20(18)14-2-1-3-17(10-14)28(26,27)25-16-7-4-13(12-22)5-8-16/h1-11,25H,(H,23,24)
InChIKeyVGPGKIIJWSLZSG-UHFFFAOYSA-N
XLogP4.04
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 118721263
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide
CID 118721264
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-difluorobenzenesulfonamide
CID 118721266
N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]methanesulfonamide
CID 155424827
MEK4 inhibitor-1
CID 155424828
MEK4 inhibitor-2
CID 163321142
N-cyclopropyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
CID 164613623
3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide
CID 164617830
3-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide
CID 164619084
N-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
CID 164628813
3-[5-[(3-methylphenyl)methylsulfonylamino]-1H-indazol-3-yl]benzenesulfonamide
CID 118712915
3-[5-(phenylsulfamoylamino)-1H-indazol-3-yl]benzenesulfonamide
CID 118712917

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(4-cyanophenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide (CID 164612308) is N-(4-cyanophenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide is N#Cc1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
The InChIKey is VGPGKIIJWSLZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O2S/c21-15-6-9-18-19(11-15)23-24-20(18)14-2-1-3-17(10-14)28(26,27)25-16-7-4-13(12-22)5-8-16/h1-11,25H,(H,23,24).
What are the key properties of N-(4-cyanophenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
N-(4-cyanophenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide has a molecular weight of 392.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 164612308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).