4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]-1H-indole-3-sulfonamide

C18H15FN4O2S — CID 154753014

IUPAC4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]-1H-indole-3-sulfonamide
SMILESO=S(=O)(NCc1ccccc1-n1ccnc1)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C18H15FN4O2S/c19-14-5-3-6-15-18(14)17(11-21-15)26(24,25)22-10-13-4-1-2-7-16(13)23-9-8-20-12-23/h1-9,11-12,21-22H,10H2
InChIKeyQDNCURVEMSGDBF-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.97
Rot. Bonds5

About 4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]-1H-indole-3-sulfonamide

4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]-1H-indole-3-sulfonamide (PubChem CID 154753014) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]-1H-indole-3-sulfonamide
PubChem CID154753014
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC Name4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]-1H-indole-3-sulfonamide
SMILESO=S(=O)(NCc1ccccc1-n1ccnc1)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C18H15FN4O2S/c19-14-5-3-6-15-18(14)17(11-21-15)26(24,25)22-10-13-4-1-2-7-16(13)23-9-8-20-12-23/h1-9,11-12,21-22H,10H2
InChIKeyQDNCURVEMSGDBF-UHFFFAOYSA-N
XLogP2.97
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]-1H-indole-3-sulfonamide?
The IUPAC name of 4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]-1H-indole-3-sulfonamide (CID 154753014) is 4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]-1H-indole-3-sulfonamide?
The canonical SMILES for 4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]-1H-indole-3-sulfonamide is O=S(=O)(NCc1ccccc1-n1ccnc1)c1c[nH]c2cccc(F)c12.
What is the InChIKey of 4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]-1H-indole-3-sulfonamide?
The InChIKey is QDNCURVEMSGDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c19-14-5-3-6-15-18(14)17(11-21-15)26(24,25)22-10-13-4-1-2-7-16(13)23-9-8-20-12-23/h1-9,11-12,21-22H,10H2.
What are the key properties of 4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]-1H-indole-3-sulfonamide?
4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]-1H-indole-3-sulfonamide has a molecular weight of 370.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 154753014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).