5-amino-2-chloro-4-fluoro-N-[prop-2-enyl(propyl)sulfamoyl]benzamide

C13H17ClFN3O3S — CID 66863616

IUPAC5-amino-2-chloro-4-fluoro-N-[prop-2-enyl(propyl)sulfamoyl]benzamide
SMILESC=CCN(CCC)S(=O)(=O)NC(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C13H17ClFN3O3S/c1-3-5-18(6-4-2)22(20,21)17-13(19)9-7-12(16)11(15)8-10(9)14/h3,7-8H,1,4-6,16H2,2H3,(H,17,19)
InChIKeySLKAWFLKNGGOHC-UHFFFAOYSA-N
MW349.82 g/mol
LogP1.93
Rot. Bonds7

About 5-amino-2-chloro-4-fluoro-N-[prop-2-enyl(propyl)sulfamoyl]benzamide

5-amino-2-chloro-4-fluoro-N-[prop-2-enyl(propyl)sulfamoyl]benzamide (PubChem CID 66863616) has the molecular formula C13H17ClFN3O3S and a molecular weight of 349.82 g/mol. Its IUPAC name is 5-amino-2-chloro-4-fluoro-N-[prop-2-enyl(propyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-fluoro-N-[prop-2-enyl(propyl)sulfamoyl]benzamide
PubChem CID66863616
Molecular FormulaC13H17ClFN3O3S
Molecular Weight349.82 g/mol
Exact Mass349.07
IUPAC Name5-amino-2-chloro-4-fluoro-N-[prop-2-enyl(propyl)sulfamoyl]benzamide
SMILESC=CCN(CCC)S(=O)(=O)NC(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C13H17ClFN3O3S/c1-3-5-18(6-4-2)22(20,21)17-13(19)9-7-12(16)11(15)8-10(9)14/h3,7-8H,1,4-6,16H2,2H3,(H,17,19)
InChIKeySLKAWFLKNGGOHC-UHFFFAOYSA-N
XLogP1.93
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-fluoro-N-[prop-2-enyl(propyl)sulfamoyl]benzamide?
The IUPAC name of 5-amino-2-chloro-4-fluoro-N-[prop-2-enyl(propyl)sulfamoyl]benzamide (CID 66863616) is 5-amino-2-chloro-4-fluoro-N-[prop-2-enyl(propyl)sulfamoyl]benzamide.
What is the SMILES notation for 5-amino-2-chloro-4-fluoro-N-[prop-2-enyl(propyl)sulfamoyl]benzamide?
The canonical SMILES for 5-amino-2-chloro-4-fluoro-N-[prop-2-enyl(propyl)sulfamoyl]benzamide is C=CCN(CCC)S(=O)(=O)NC(=O)c1cc(N)c(F)cc1Cl.
What is the InChIKey of 5-amino-2-chloro-4-fluoro-N-[prop-2-enyl(propyl)sulfamoyl]benzamide?
The InChIKey is SLKAWFLKNGGOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3O3S/c1-3-5-18(6-4-2)22(20,21)17-13(19)9-7-12(16)11(15)8-10(9)14/h3,7-8H,1,4-6,16H2,2H3,(H,17,19).
What are the key properties of 5-amino-2-chloro-4-fluoro-N-[prop-2-enyl(propyl)sulfamoyl]benzamide?
5-amino-2-chloro-4-fluoro-N-[prop-2-enyl(propyl)sulfamoyl]benzamide has a molecular weight of 349.82 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-fluoro-N-[prop-2-enyl(propyl)sulfamoyl]benzamide is sourced from PubChem (CID 66863616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).