5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole

C20H20F2N2O2S — CID 113088184

IUPAC5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
SMILESCc1cc(S(=O)(=O)N2CCC(c3cc4cc(F)ccc4[nH]3)CC2)ccc1F
InChIInChI=1S/C20H20F2N2O2S/c1-13-10-17(3-4-18(13)22)27(25,26)24-8-6-14(7-9-24)20-12-15-11-16(21)2-5-19(15)23-20/h2-5,10-12,14,23H,6-9H2,1H3
InChIKeyPBFIDFRKTLRQOU-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.32
Rot. Bonds3

About 5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole

5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole (PubChem CID 113088184) has the molecular formula C20H20F2N2O2S and a molecular weight of 390.46 g/mol. Its IUPAC name is 5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
PubChem CID113088184
Molecular FormulaC20H20F2N2O2S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
SMILESCc1cc(S(=O)(=O)N2CCC(c3cc4cc(F)ccc4[nH]3)CC2)ccc1F
InChIInChI=1S/C20H20F2N2O2S/c1-13-10-17(3-4-18(13)22)27(25,26)24-8-6-14(7-9-24)20-12-15-11-16(21)2-5-19(15)23-20/h2-5,10-12,14,23H,6-9H2,1H3
InChIKeyPBFIDFRKTLRQOU-UHFFFAOYSA-N
XLogP4.32
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087902
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088702
5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113088284
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
3-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-5-fluoro-1H-indole
CID 113087436
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole
CID 113088701
[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088126
N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 110726948
6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636585

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
The IUPAC name of 5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole (CID 113088184) is 5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole.
What is the SMILES notation for 5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
The canonical SMILES for 5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole is Cc1cc(S(=O)(=O)N2CCC(c3cc4cc(F)ccc4[nH]3)CC2)ccc1F.
What is the InChIKey of 5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
The InChIKey is PBFIDFRKTLRQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2S/c1-13-10-17(3-4-18(13)22)27(25,26)24-8-6-14(7-9-24)20-12-15-11-16(21)2-5-19(15)23-20/h2-5,10-12,14,23H,6-9H2,1H3.
What are the key properties of 5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole has a molecular weight of 390.46 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole is sourced from PubChem (CID 113088184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).