4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide

C19H21FN4O4S — CID 18382060

IUPAC4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(F)c3)CC2)cc1
InChIInChI=1S/C19H21FN4O4S/c1-28-17-7-6-15(12-16(17)20)29(26,27)24-10-8-23(9-11-24)19(25)14-4-2-13(3-5-14)18(21)22/h2-7,12H,8-11H2,1H3,(H3,21,22)
InChIKeyBRRXIAOPEVNJAO-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.27
Rot. Bonds5

About 4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide

4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide (PubChem CID 18382060) has the molecular formula C19H21FN4O4S and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
PubChem CID18382060
Molecular FormulaC19H21FN4O4S
Molecular Weight420.47 g/mol
Exact Mass420.13
IUPAC Name4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(F)c3)CC2)cc1
InChIInChI=1S/C19H21FN4O4S/c1-28-17-7-6-15(12-16(17)20)29(26,27)24-10-8-23(9-11-24)19(25)14-4-2-13(3-5-14)18(21)22/h2-7,12H,8-11H2,1H3,(H3,21,22)
InChIKeyBRRXIAOPEVNJAO-UHFFFAOYSA-N
XLogP1.27
TPSA116.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide?
The IUPAC name of 4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide (CID 18382060) is 4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide.
What is the SMILES notation for 4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide?
The canonical SMILES for 4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(F)c3)CC2)cc1.
What is the InChIKey of 4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide?
The InChIKey is BRRXIAOPEVNJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4S/c1-28-17-7-6-15(12-16(17)20)29(26,27)24-10-8-23(9-11-24)19(25)14-4-2-13(3-5-14)18(21)22/h2-7,12H,8-11H2,1H3,(H3,21,22).
What are the key properties of 4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide?
4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide has a molecular weight of 420.47 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide is sourced from PubChem (CID 18382060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).