N-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine

C21H24FN3O2S — CID 71462621

IUPACN-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
SMILESCc1cn(S(=O)(=O)c2ccc(F)c(NC3CCN(C)CC3)c2)c2ccccc12
InChIInChI=1S/C21H24FN3O2S/c1-15-14-25(21-6-4-3-5-18(15)21)28(26,27)17-7-8-19(22)20(13-17)23-16-9-11-24(2)12-10-16/h3-8,13-14,16,23H,9-12H2,1-2H3
InChIKeyMQFAKPMTINANJJ-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.83
Rot. Bonds4

About N-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine

N-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine (PubChem CID 71462621) has the molecular formula C21H24FN3O2S and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
PubChem CID71462621
Molecular FormulaC21H24FN3O2S
Molecular Weight401.51 g/mol
Exact Mass401.16
IUPAC NameN-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
SMILESCc1cn(S(=O)(=O)c2ccc(F)c(NC3CCN(C)CC3)c2)c2ccccc12
InChIInChI=1S/C21H24FN3O2S/c1-15-14-25(21-6-4-3-5-18(15)21)28(26,27)17-7-8-19(22)20(13-17)23-16-9-11-24(2)12-10-16/h3-8,13-14,16,23H,9-12H2,1-2H3
InChIKeyMQFAKPMTINANJJ-UHFFFAOYSA-N
XLogP3.83
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine (CID 71462621) is N-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine is Cc1cn(S(=O)(=O)c2ccc(F)c(NC3CCN(C)CC3)c2)c2ccccc12.
What is the InChIKey of N-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
The InChIKey is MQFAKPMTINANJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2S/c1-15-14-25(21-6-4-3-5-18(15)21)28(26,27)17-7-8-19(22)20(13-17)23-16-9-11-24(2)12-10-16/h3-8,13-14,16,23H,9-12H2,1-2H3.
What are the key properties of N-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
N-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine has a molecular weight of 401.51 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 71462621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).