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

C18H19FN2O2S2 — CID 113087664

IUPAC6-fluoro-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-indole
SMILESCc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)s1
InChIInChI=1S/C18H19FN2O2S2/c1-12-2-5-18(24-12)25(22,23)21-8-6-13(7-9-21)16-11-20-17-10-14(19)3-4-15(16)17/h2-5,10-11,13,20H,6-9H2,1H3
InChIKeyPACHKOUADYELQY-UHFFFAOYSA-N
MW378.49 g/mol
LogP4.25
Rot. Bonds3

About 6-fluoro-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-indole

6-fluoro-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-indole (PubChem CID 113087664) has the molecular formula C18H19FN2O2S2 and a molecular weight of 378.49 g/mol. Its IUPAC name is 6-fluoro-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-indole
PubChem CID113087664
Molecular FormulaC18H19FN2O2S2
Molecular Weight378.49 g/mol
Exact Mass378.09
IUPAC Name6-fluoro-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-indole
SMILESCc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)s1
InChIInChI=1S/C18H19FN2O2S2/c1-12-2-5-18(24-12)25(22,23)21-8-6-13(7-9-21)16-11-20-17-10-14(19)3-4-15(16)17/h2-5,10-11,13,20H,6-9H2,1H3
InChIKeyPACHKOUADYELQY-UHFFFAOYSA-N
XLogP4.25
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 97064531
3-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-5-fluoro-1H-indole
CID 113087436
ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 162749068
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141567
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one
CID 113087593
2-methyl-5-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole
CID 71780450
methyl-methylidene-oxo-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane
CID 159505276
4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673262
N-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 113004243
methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 91660760

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-indole?
The IUPAC name of 6-fluoro-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-indole (CID 113087664) is 6-fluoro-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-indole is Cc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)s1.
What is the InChIKey of 6-fluoro-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-indole?
The InChIKey is PACHKOUADYELQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S2/c1-12-2-5-18(24-12)25(22,23)21-8-6-13(7-9-21)16-11-20-17-10-14(19)3-4-15(16)17/h2-5,10-11,13,20H,6-9H2,1H3.
What are the key properties of 6-fluoro-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-indole?
6-fluoro-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-indole has a molecular weight of 378.49 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-indole is sourced from PubChem (CID 113087664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).