2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

C23H25FN2O3S — CID 43958432

IUPAC2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C23H25FN2O3S/c1-17-6-4-5-13-26(17)23(27)15-25-14-22(20-7-2-3-8-21(20)25)30(28,29)16-18-9-11-19(24)12-10-18/h2-3,7-12,14,17H,4-6,13,15-16H2,1H3
InChIKeyKNIAKLCEDGHZLQ-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.16
Rot. Bonds5

About 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 43958432) has the molecular formula C23H25FN2O3S and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID43958432
Molecular FormulaC23H25FN2O3S
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC Name2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C23H25FN2O3S/c1-17-6-4-5-13-26(17)23(27)15-25-14-22(20-7-2-3-8-21(20)25)30(28,29)16-18-9-11-19(24)12-10-18/h2-3,7-12,14,17H,4-6,13,15-16H2,1H3
InChIKeyKNIAKLCEDGHZLQ-UHFFFAOYSA-N
XLogP4.16
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 43958345
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone
CID 20911285
1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone
CID 30292449
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 43958376
1-(azepan-1-yl)-2-(3-benzylsulfonylindol-1-yl)ethanone
CID 20902787
N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 70169296
1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone
CID 43958360
1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone
CID 20902781
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16935925
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[(4-fluorophenyl)methyl]acetamide
CID 18563610
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 43958458
N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560764

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (CID 43958432) is 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is KNIAKLCEDGHZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S/c1-17-6-4-5-13-26(17)23(27)15-25-14-22(20-7-2-3-8-21(20)25)30(28,29)16-18-9-11-19(24)12-10-18/h2-3,7-12,14,17H,4-6,13,15-16H2,1H3.
What are the key properties of 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 428.53 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43958432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).