[4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone

C20H20FN3O3S — CID 24749936

IUPAC[4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone
SMILESCC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H20FN3O3S/c1-14-13-23(20(25)15-5-3-2-4-6-15)9-10-24(14)28(26,27)19-12-22-18-8-7-16(21)11-17(18)19/h2-8,11-12,14,22H,9-10,13H2,1H3
InChIKeyPAQRKQUUKFOMSK-UHFFFAOYSA-N
MW401.46 g/mol
LogP2.84
Rot. Bonds3

About [4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone

[4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone (PubChem CID 24749936) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is [4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone
PubChem CID24749936
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Name[4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone
SMILESCC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H20FN3O3S/c1-14-13-23(20(25)15-5-3-2-4-6-15)9-10-24(14)28(26,27)19-12-22-18-8-7-16(21)11-17(18)19/h2-8,11-12,14,22H,9-10,13H2,1H3
InChIKeyPAQRKQUUKFOMSK-UHFFFAOYSA-N
XLogP2.84
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-phenylmethanone
CID 24749483
[4-[(7-azido-1H-pyrrolo[2,3-c]pyridin-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone
CID 24749265
[(3S)-3-methyl-4-[[7-(1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]sulfonyl]piperazin-1-yl]-phenylmethanone
CID 73350683
[3-methyl-4-[[7-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]sulfonyl]piperazin-1-yl]-phenylmethanone
CID 24748869
(4-methylphenyl)-[(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]methanone
CID 24749583
[4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone
CID 59007124
[4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
CID 75251241
[(3S)-4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
CID 46910840
[4-[[7-[4-(methoxymethyl)triazol-1-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone
CID 24748778
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione
CID 506286
[(3S)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 73346059
4-[(3S)-3-methyl-4-methylsulfonylpiperazine-1-carbonyl]benzoic acid
CID 120552705

Frequently Asked Questions

What is the IUPAC name of [4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone (CID 24749936) is [4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone is CC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of [4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone?
The InChIKey is PAQRKQUUKFOMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-14-13-23(20(25)15-5-3-2-4-6-15)9-10-24(14)28(26,27)19-12-22-18-8-7-16(21)11-17(18)19/h2-8,11-12,14,22H,9-10,13H2,1H3.
What are the key properties of [4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone?
[4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone has a molecular weight of 401.46 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 24749936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).