N-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide

C23H28F2N4O2S — CID 58730856

IUPACN-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4cc(F)ccc4NS(C)(=O)=O)c(F)c3c2)CC1
InChIInChI=1S/C23H28F2N4O2S/c1-26-9-12-29-10-7-15(8-11-29)16-3-5-20-18(13-16)22(25)23(27-20)19-14-17(24)4-6-21(19)28-32(2,30)31/h3-6,13-15,26-28H,7-12H2,1-2H3
InChIKeyGKGUAMNVDHSMIL-UHFFFAOYSA-N
MW462.57 g/mol
LogP3.88
Rot. Bonds7

About N-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide

N-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide (PubChem CID 58730856) has the molecular formula C23H28F2N4O2S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide
PubChem CID58730856
Molecular FormulaC23H28F2N4O2S
Molecular Weight462.57 g/mol
Exact Mass462.19
IUPAC NameN-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4cc(F)ccc4NS(C)(=O)=O)c(F)c3c2)CC1
InChIInChI=1S/C23H28F2N4O2S/c1-26-9-12-29-10-7-15(8-11-29)16-3-5-20-18(13-16)22(25)23(27-20)19-14-17(24)4-6-21(19)28-32(2,30)31/h3-6,13-15,26-28H,7-12H2,1-2H3
InChIKeyGKGUAMNVDHSMIL-UHFFFAOYSA-N
XLogP3.88
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide (CID 58730856) is N-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide is CNCCN1CCC(c2ccc3[nH]c(-c4cc(F)ccc4NS(C)(=O)=O)c(F)c3c2)CC1.
What is the InChIKey of N-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide?
The InChIKey is GKGUAMNVDHSMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O2S/c1-26-9-12-29-10-7-15(8-11-29)16-3-5-20-18(13-16)22(25)23(27-20)19-14-17(24)4-6-21(19)28-32(2,30)31/h3-6,13-15,26-28H,7-12H2,1-2H3.
What are the key properties of N-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide?
N-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide has a molecular weight of 462.57 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 58730856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).