1-(2,5-difluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine

C17H16F2N4O2S — CID 7197248

IUPAC1-(2,5-difluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESN/C(=N\CCc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C17H16F2N4O2S/c18-12-5-6-14(19)16(9-12)26(24,25)23-17(20)21-8-7-11-10-22-15-4-2-1-3-13(11)15/h1-6,9-10,22H,7-8H2,(H3,20,21,23)
InChIKeyKLIVXGVUVONPGE-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.28
Rot. Bonds5

About 1-(2,5-difluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine

1-(2,5-difluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine (PubChem CID 7197248) has the molecular formula C17H16F2N4O2S and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
PubChem CID7197248
Molecular FormulaC17H16F2N4O2S
Molecular Weight378.40 g/mol
Exact Mass378.10
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESN/C(=N\CCc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C17H16F2N4O2S/c18-12-5-6-14(19)16(9-12)26(24,25)23-17(20)21-8-7-11-10-22-15-4-2-1-3-13(11)15/h1-6,9-10,22H,7-8H2,(H3,20,21,23)
InChIKeyKLIVXGVUVONPGE-UHFFFAOYSA-N
XLogP2.28
TPSA100.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine (CID 7197248) is 1-(2,5-difluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine is N/C(=N\CCc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine?
The InChIKey is KLIVXGVUVONPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2S/c18-12-5-6-14(19)16(9-12)26(24,25)23-17(20)21-8-7-11-10-22-15-4-2-1-3-13(11)15/h1-6,9-10,22H,7-8H2,(H3,20,21,23).
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine?
1-(2,5-difluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine has a molecular weight of 378.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 7197248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).