N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide

C22H26FN3O7S3 — CID 59128755

IUPACN-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide
SMILESCOc1cccc2c1cc(S(=O)(=O)N1CCC(CNS(C)(=O)=O)CC1)n2S(=O)(=O)c1ccccc1F
InChIInChI=1S/C22H26FN3O7S3/c1-33-20-8-5-7-19-17(20)14-22(26(19)35(29,30)21-9-4-3-6-18(21)23)36(31,32)25-12-10-16(11-13-25)15-24-34(2,27)28/h3-9,14,16,24H,10-13,15H2,1-2H3
InChIKeyVQKURWXBGQZZLG-UHFFFAOYSA-N
MW559.66 g/mol
LogP1.98
Rot. Bonds8

About N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide

N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide (PubChem CID 59128755) has the molecular formula C22H26FN3O7S3 and a molecular weight of 559.66 g/mol. Its IUPAC name is N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide
PubChem CID59128755
Molecular FormulaC22H26FN3O7S3
Molecular Weight559.66 g/mol
Exact Mass559.09
IUPAC NameN-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide
SMILESCOc1cccc2c1cc(S(=O)(=O)N1CCC(CNS(C)(=O)=O)CC1)n2S(=O)(=O)c1ccccc1F
InChIInChI=1S/C22H26FN3O7S3/c1-33-20-8-5-7-19-17(20)14-22(26(19)35(29,30)21-9-4-3-6-18(21)23)36(31,32)25-12-10-16(11-13-25)15-24-34(2,27)28/h3-9,14,16,24H,10-13,15H2,1-2H3
InChIKeyVQKURWXBGQZZLG-UHFFFAOYSA-N
XLogP1.98
TPSA131.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.66
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

5-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide
CID 66547077
6-methoxy-1H-indole-2-sulfonamide
CID 14476490
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-methylethanamine
CID 11461668
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-benzylethanamine
CID 44389529
4-(4-methoxy-1H-indol-1-ylsulfonyl)benzenamine
CID 44413494
1,1,1-trifluoro-N-((1-(1-(2-fluorophenylsulfonyl)-5-methoxy-1H-indol-2-ylsulfonyl)piperidin-4-yl)methyl)methanesulfonamide
CID 52943267
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-(pyridin-2-ylmethyl)ethanamine
CID 164611660
N-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 164616201
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-[(3-methoxyphenyl)methyl]ethanamine
CID 10113909
N-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]oxan-4-amine
CID 10157824
1-(Benzenesulfonyl)-4-(2-piperidin-1-ylethoxy)indole
CID 10178089
4-[2-[1-(Benzenesulfonyl)indol-4-yl]oxyethyl]morpholine
CID 10178221

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide (CID 59128755) is N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide is COc1cccc2c1cc(S(=O)(=O)N1CCC(CNS(C)(=O)=O)CC1)n2S(=O)(=O)c1ccccc1F.
What is the InChIKey of N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is VQKURWXBGQZZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O7S3/c1-33-20-8-5-7-19-17(20)14-22(26(19)35(29,30)21-9-4-3-6-18(21)23)36(31,32)25-12-10-16(11-13-25)15-24-34(2,27)28/h3-9,14,16,24H,10-13,15H2,1-2H3.
What are the key properties of N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide?
N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 559.66 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 59128755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).