1-ethyl-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazole-4-sulfonamide

C17H21FN4O2S — CID 56876604

IUPAC1-ethyl-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazole-4-sulfonamide
SMILESCCc1[nH]c2c(CNS(=O)(=O)c3cnn(CC)c3)cc(F)cc2c1C
InChIInChI=1S/C17H21FN4O2S/c1-4-16-11(3)15-7-13(18)6-12(17(15)21-16)8-20-25(23,24)14-9-19-22(5-2)10-14/h6-7,9-10,20-21H,4-5,8H2,1-3H3
InChIKeyZDGIUDQNEZWTMF-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.87
Rot. Bonds6

About 1-ethyl-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazole-4-sulfonamide

1-ethyl-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 56876604) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-ethyl-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazole-4-sulfonamide
PubChem CID56876604
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC Name1-ethyl-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazole-4-sulfonamide
SMILESCCc1[nH]c2c(CNS(=O)(=O)c3cnn(CC)c3)cc(F)cc2c1C
InChIInChI=1S/C17H21FN4O2S/c1-4-16-11(3)15-7-13(18)6-12(17(15)21-16)8-20-25(23,24)14-9-19-22(5-2)10-14/h6-7,9-10,20-21H,4-5,8H2,1-3H3
InChIKeyZDGIUDQNEZWTMF-UHFFFAOYSA-N
XLogP2.87
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazole-4-sulfonamide (CID 56876604) is 1-ethyl-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazole-4-sulfonamide is CCc1[nH]c2c(CNS(=O)(=O)c3cnn(CC)c3)cc(F)cc2c1C.
What is the InChIKey of 1-ethyl-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is ZDGIUDQNEZWTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-4-16-11(3)15-7-13(18)6-12(17(15)21-16)8-20-25(23,24)14-9-19-22(5-2)10-14/h6-7,9-10,20-21H,4-5,8H2,1-3H3.
What are the key properties of 1-ethyl-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazole-4-sulfonamide?
1-ethyl-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 364.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 56876604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).