N-[2-methoxy-5-[[5-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]phenyl]-1-methylpiperidin-4-amine

C22H24F3N3O3S — CID 53303853

IUPACN-[2-methoxy-5-[[5-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]phenyl]-1-methylpiperidin-4-amine
SMILESCOc1ccc(S(=O)(=O)c2c[nH]c3ccc(C(F)(F)F)cc23)cc1NC1CCN(C)CC1
InChIInChI=1S/C22H24F3N3O3S/c1-28-9-7-15(8-10-28)27-19-12-16(4-6-20(19)31-2)32(29,30)21-13-26-18-5-3-14(11-17(18)21)22(23,24)25/h3-6,11-13,15,26-27H,7-10H2,1-2H3
InChIKeyQCTPAZLMEGQUID-UHFFFAOYSA-N
MW467.51 g/mol
LogP4.53
Rot. Bonds5

About N-[2-methoxy-5-[[5-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]phenyl]-1-methylpiperidin-4-amine

N-[2-methoxy-5-[[5-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]phenyl]-1-methylpiperidin-4-amine (PubChem CID 53303853) has the molecular formula C22H24F3N3O3S and a molecular weight of 467.51 g/mol. Its IUPAC name is N-[2-methoxy-5-[[5-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]phenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-methoxy-5-[[5-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]phenyl]-1-methylpiperidin-4-amine
PubChem CID53303853
Molecular FormulaC22H24F3N3O3S
Molecular Weight467.51 g/mol
Exact Mass467.15
IUPAC NameN-[2-methoxy-5-[[5-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]phenyl]-1-methylpiperidin-4-amine
SMILESCOc1ccc(S(=O)(=O)c2c[nH]c3ccc(C(F)(F)F)cc23)cc1NC1CCN(C)CC1
InChIInChI=1S/C22H24F3N3O3S/c1-28-9-7-15(8-10-28)27-19-12-16(4-6-20(19)31-2)32(29,30)21-13-26-18-5-3-14(11-17(18)21)22(23,24)25/h3-6,11-13,15,26-27H,7-10H2,1-2H3
InChIKeyQCTPAZLMEGQUID-UHFFFAOYSA-N
XLogP4.53
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 67341609
CID 67341609
CID 118173771
CID 118173771
CID 118173792
CID 118173792
CID 118181414
CID 118181414
CID 118181437
CID 118181437
CID 118181441
CID 118181441
CID 118181453
CID 118181453
CID 118181454
CID 118181454
CID 118181455
CID 118181455
CID 44342727
CID 44342727
CID 71450107
CID 71450107
CID 71451924
CID 71451924

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[[5-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]phenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[2-methoxy-5-[[5-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]phenyl]-1-methylpiperidin-4-amine (CID 53303853) is N-[2-methoxy-5-[[5-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]phenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-methoxy-5-[[5-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]phenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2-methoxy-5-[[5-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]phenyl]-1-methylpiperidin-4-amine is COc1ccc(S(=O)(=O)c2c[nH]c3ccc(C(F)(F)F)cc23)cc1NC1CCN(C)CC1.
What is the InChIKey of N-[2-methoxy-5-[[5-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]phenyl]-1-methylpiperidin-4-amine?
The InChIKey is QCTPAZLMEGQUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3S/c1-28-9-7-15(8-10-28)27-19-12-16(4-6-20(19)31-2)32(29,30)21-13-26-18-5-3-14(11-17(18)21)22(23,24)25/h3-6,11-13,15,26-27H,7-10H2,1-2H3.
What are the key properties of N-[2-methoxy-5-[[5-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]phenyl]-1-methylpiperidin-4-amine?
N-[2-methoxy-5-[[5-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]phenyl]-1-methylpiperidin-4-amine has a molecular weight of 467.51 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[[5-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]phenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 53303853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).