N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide

C22H27FN4O3S — CID 20921822

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)NCCN3CCN(c4ccccc4F)CC3)cc21
InChIInChI=1S/C22H27FN4O3S/c1-22(2)17-15-16(7-8-19(17)25-21(22)28)31(29,30)24-9-10-26-11-13-27(14-12-26)20-6-4-3-5-18(20)23/h3-8,15,24H,9-14H2,1-2H3,(H,25,28)
InChIKeyXZNHMHNIHMZLCD-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.16
Rot. Bonds6

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide (PubChem CID 20921822) has the molecular formula C22H27FN4O3S and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
PubChem CID20921822
Molecular FormulaC22H27FN4O3S
Molecular Weight446.55 g/mol
Exact Mass446.18
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)NCCN3CCN(c4ccccc4F)CC3)cc21
InChIInChI=1S/C22H27FN4O3S/c1-22(2)17-15-16(7-8-19(17)25-21(22)28)31(29,30)24-9-10-26-11-13-27(14-12-26)20-6-4-3-5-18(20)23/h3-8,15,24H,9-14H2,1-2H3,(H,25,28)
InChIKeyXZNHMHNIHMZLCD-UHFFFAOYSA-N
XLogP2.16
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-3-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 42268240
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethoxybenzenesulfonamide
CID 42388939
3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
CID 110384507
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388981
N-(2,6-difluorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384568
4-ethoxy-3-fluoro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42389063
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-4-propan-2-ylbenzenesulfonamide
CID 42389029
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384490
3,4-difluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42428630
4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267445
4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzenesulfonamide
CID 42267853
(2S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 92660738

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide (CID 20921822) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide is CC1(C)C(=O)Nc2ccc(S(=O)(=O)NCCN3CCN(c4ccccc4F)CC3)cc21.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is XZNHMHNIHMZLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3S/c1-22(2)17-15-16(7-8-19(17)25-21(22)28)31(29,30)24-9-10-26-11-13-27(14-12-26)20-6-4-3-5-18(20)23/h3-8,15,24H,9-14H2,1-2H3,(H,25,28).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 446.55 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 20921822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).