N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide

C18H17FN2O3S — CID 71708611

IUPACN-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)cc2ccccc21
InChIInChI=1S/C18H17FN2O3S/c1-21-16-5-3-2-4-13(16)12-17(21)18(22)20-10-11-25(23,24)15-8-6-14(19)7-9-15/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyHQYLHASJUXGIFT-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.52
Rot. Bonds5

About N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide

N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide (PubChem CID 71708611) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide
PubChem CID71708611
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC NameN-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)cc2ccccc21
InChIInChI=1S/C18H17FN2O3S/c1-21-16-5-3-2-4-13(16)12-17(21)18(22)20-10-11-25(23,24)15-8-6-14(19)7-9-15/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyHQYLHASJUXGIFT-UHFFFAOYSA-N
XLogP2.52
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide
CID 110468895
(4-fluorophenyl)-(1-methylindol-2-yl)methanone
CID 10377568
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid
CID 167977206
N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide
CID 39314062
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-methylindole-2-carboxamide
CID 55910719
N-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide
CID 71704004
3-[(1-methylindole-2-carbonyl)amino]propyl benzoate
CID 167310083
N-methanehydrazonoyl-1-methylindole-2-carboxamide
CID 137240676
N-[2-(3-methoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 113207074
3-[(1-methylindole-2-carbonyl)amino]propyl butanoate
CID 167310044
N-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide
CID 111445687

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide (CID 71708611) is N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide is Cn1c(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)cc2ccccc21.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide?
The InChIKey is HQYLHASJUXGIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-21-16-5-3-2-4-13(16)12-17(21)18(22)20-10-11-25(23,24)15-8-6-14(19)7-9-15/h2-9,12H,10-11H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide?
N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 71708611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).