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

C21H24FN3O7S3 — CID 21037011

IUPACN-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCN(S(=O)(=O)c2cc3c(O)cccc3n2S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H24FN3O7S3/c1-33(27,28)23-14-15-9-11-24(12-10-15)35(31,32)21-13-16-18(6-4-7-19(16)26)25(21)34(29,30)20-8-3-2-5-17(20)22/h2-8,13,15,23,26H,9-12,14H2,1H3
InChIKeyWIUPBTXCCKOTDP-UHFFFAOYSA-N
MW545.64 g/mol
LogP1.67
Rot. Bonds7

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

N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide (PubChem CID 21037011) has the molecular formula C21H24FN3O7S3 and a molecular weight of 545.64 g/mol. Its IUPAC name is N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide
PubChem CID21037011
Molecular FormulaC21H24FN3O7S3
Molecular Weight545.64 g/mol
Exact Mass545.08
IUPAC NameN-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCN(S(=O)(=O)c2cc3c(O)cccc3n2S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H24FN3O7S3/c1-33(27,28)23-14-15-9-11-24(12-10-15)35(31,32)21-13-16-18(6-4-7-19(16)26)25(21)34(29,30)20-8-3-2-5-17(20)22/h2-8,13,15,23,26H,9-12,14H2,1H3
InChIKeyWIUPBTXCCKOTDP-UHFFFAOYSA-N
XLogP1.67
TPSA142.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.64
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Benzenesulfonyl)-1H-indol-4-ol
CID 13437718
1,1,1-trifluoro-N-((1-(1-(2-fluorophenylsulfonyl)-5-methoxy-1H-indol-2-ylsulfonyl)piperidin-4-yl)methyl)methanesulfonamide
CID 52943267
3-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-hydroxy-2-methylindol-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 130302575
(Z)-3-(1-(4-amino-2-fluorobut-2-en-1-yl)-5-hydroxy-2-methyl-1H-indol-3-yl)-N,N-dimethylbenzenesulfonamide
CID 130302576
2-(4-benzyl-piperidin-1-sulfonyl)-1H-indol-6-ol
CID 16110232
1-[(4-methylphenyl)sulfonyl]-1H-indol-4-ol
CID 10379309
1-(2-fluorobenzenesulfonyl)-4-hydroxy-1H-indole
CID 11471842
N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide
CID 59128755
1-[4-Fluoro-2-(methylaminomethyl)phenyl]sulfanyl-2-methylindol-4-ol
CID 69627366
(1-((2-fluoro-4-hydroxyphenyl)sulfonyl)-4-hydroxy-1H-indol-6-yl)boronic acid
CID 131736270
3-[1-(4-amino-2-fluorobut-2-enyl)-5-hydroxy-2-methylindol-3-yl]-N,N-dimethylbenzenesulfonamide
CID 137459757
[(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-5-hydroxy-2-methylindol-1-yl]-3-fluorobut-2-enyl]azanium
CID 145350156

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide (CID 21037011) is N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCN(S(=O)(=O)c2cc3c(O)cccc3n2S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is WIUPBTXCCKOTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O7S3/c1-33(27,28)23-14-15-9-11-24(12-10-15)35(31,32)21-13-16-18(6-4-7-19(16)26)25(21)34(29,30)20-8-3-2-5-17(20)22/h2-8,13,15,23,26H,9-12,14H2,1H3.
What are the key properties of N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide?
N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 545.64 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 21037011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).