N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]acetamide

C25H21FN4O3S — CID 118382316

IUPACN-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4cc(F)ccc34)cc2[nH]1
InChIInChI=1S/C25H21FN4O3S/c1-16(31)27-12-11-25-28-22-10-7-17(13-23(22)29-25)21-15-30(24-14-18(26)8-9-20(21)24)34(32,33)19-5-3-2-4-6-19/h2-10,13-15H,11-12H2,1H3,(H,27,31)(H,28,29)
InChIKeyXRJWZKRRTKNUQJ-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.24
Rot. Bonds6

About N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]acetamide

N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]acetamide (PubChem CID 118382316) has the molecular formula C25H21FN4O3S and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]acetamide
PubChem CID118382316
Molecular FormulaC25H21FN4O3S
Molecular Weight476.53 g/mol
Exact Mass476.13
IUPAC NameN-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4cc(F)ccc34)cc2[nH]1
InChIInChI=1S/C25H21FN4O3S/c1-16(31)27-12-11-25-28-22-10-7-17(13-23(22)29-25)21-15-30(24-14-18(26)8-9-20(21)24)34(32,33)19-5-3-2-4-6-19/h2-10,13-15H,11-12H2,1H3,(H,27,31)(H,28,29)
InChIKeyXRJWZKRRTKNUQJ-UHFFFAOYSA-N
XLogP4.24
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]acetamide (CID 118382316) is N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]acetamide is CC(=O)NCCc1nc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4cc(F)ccc34)cc2[nH]1.
What is the InChIKey of N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is XRJWZKRRTKNUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O3S/c1-16(31)27-12-11-25-28-22-10-7-17(13-23(22)29-25)21-15-30(24-14-18(26)8-9-20(21)24)34(32,33)19-5-3-2-4-6-19/h2-10,13-15H,11-12H2,1H3,(H,27,31)(H,28,29).
What are the key properties of N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]acetamide?
N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 476.53 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 118382316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).