N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide

C16H12FN5O2S — CID 175420261

IUPACN-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc2[nH]nc(-c3nc4ccc(F)cc4[nH]3)c2c1
InChIInChI=1S/C16H12FN5O2S/c1-2-25(23,24)22-10-4-6-12-11(8-10)15(21-20-12)16-18-13-5-3-9(17)7-14(13)19-16/h2-8,22H,1H2,(H,18,19)(H,20,21)
InChIKeyUIFIOXFUHAVMOZ-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.13
Rot. Bonds4

About N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide

N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide (PubChem CID 175420261) has the molecular formula C16H12FN5O2S and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide.

Molecular Properties

Compound NameN-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide
PubChem CID175420261
Molecular FormulaC16H12FN5O2S
Molecular Weight357.37 g/mol
Exact Mass357.07
IUPAC NameN-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc2[nH]nc(-c3nc4ccc(F)cc4[nH]3)c2c1
InChIInChI=1S/C16H12FN5O2S/c1-2-25(23,24)22-10-4-6-12-11(8-10)15(21-20-12)16-18-13-5-3-9(17)7-14(13)19-16/h2-8,22H,1H2,(H,18,19)(H,20,21)
InChIKeyUIFIOXFUHAVMOZ-UHFFFAOYSA-N
XLogP3.13
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
CID 135820247
N-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 135444767
2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine
CID 135820349
2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
CID 135820020
2-(6-fluoro-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820256
2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 135820219
2-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-4-yl]prop-2-enamide
CID 175887320
2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 135820181
2-phenyl-N-(3-phenyl-1H-indazol-5-yl)ethenesulfonamide
CID 67042615
N-[3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]ethenesulfonamide
CID 168869871
3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine
CID 71190825
2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol
CID 60837203

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide?
The IUPAC name of N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide (CID 175420261) is N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide.
What is the SMILES notation for N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide?
The canonical SMILES for N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide is C=CS(=O)(=O)Nc1ccc2[nH]nc(-c3nc4ccc(F)cc4[nH]3)c2c1.
What is the InChIKey of N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide?
The InChIKey is UIFIOXFUHAVMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O2S/c1-2-25(23,24)22-10-4-6-12-11(8-10)15(21-20-12)16-18-13-5-3-9(17)7-14(13)19-16/h2-8,22H,1H2,(H,18,19)(H,20,21).
What are the key properties of N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide?
N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide has a molecular weight of 357.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide is sourced from PubChem (CID 175420261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).