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

C24H21FN4O4S2 — CID 118382701

IUPACN-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1nc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4cc(F)ccc34)cc2[nH]1
InChIInChI=1S/C24H21FN4O4S2/c1-34(30,31)26-12-11-24-27-21-10-7-16(13-22(21)28-24)20-15-29(23-14-17(25)8-9-19(20)23)35(32,33)18-5-3-2-4-6-18/h2-10,13-15,26H,11-12H2,1H3,(H,27,28)
InChIKeySDNLJRSZPDKTPI-UHFFFAOYSA-N
MW512.59 g/mol
LogP3.65
Rot. Bonds7

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

N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]methanesulfonamide (PubChem CID 118382701) has the molecular formula C24H21FN4O4S2 and a molecular weight of 512.59 g/mol. Its IUPAC name is N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]methanesulfonamide
PubChem CID118382701
Molecular FormulaC24H21FN4O4S2
Molecular Weight512.59 g/mol
Exact Mass512.10
IUPAC NameN-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1nc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4cc(F)ccc34)cc2[nH]1
InChIInChI=1S/C24H21FN4O4S2/c1-34(30,31)26-12-11-24-27-21-10-7-16(13-22(21)28-24)20-15-29(23-14-17(25)8-9-19(20)23)35(32,33)18-5-3-2-4-6-18/h2-10,13-15,26H,11-12H2,1H3,(H,27,28)
InChIKeySDNLJRSZPDKTPI-UHFFFAOYSA-N
XLogP3.65
TPSA113.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.59
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]methanesulfonamide?
The IUPAC name of N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]methanesulfonamide (CID 118382701) is N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]methanesulfonamide is CS(=O)(=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]methanesulfonamide?
The InChIKey is SDNLJRSZPDKTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4S2/c1-34(30,31)26-12-11-24-27-21-10-7-16(13-22(21)28-24)20-15-29(23-14-17(25)8-9-19(20)23)35(32,33)18-5-3-2-4-6-18/h2-10,13-15,26H,11-12H2,1H3,(H,27,28).
What are the key properties of N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]methanesulfonamide?
N-[2-[6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-benzimidazol-2-yl]ethyl]methanesulfonamide has a molecular weight of 512.59 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 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]methanesulfonamide is sourced from PubChem (CID 118382701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).