4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide

C18H20ClFN2O4S — CID 17480377

IUPAC4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H20ClFN2O4S/c1-26-10-2-9-21-18(23)14-5-3-13(4-6-14)12-22-27(24,25)15-7-8-17(20)16(19)11-15/h3-8,11,22H,2,9-10,12H2,1H3,(H,21,23)
InChIKeyMJVPKOUTWQEYLZ-UHFFFAOYSA-N
MW414.89 g/mol
LogP2.72
Rot. Bonds9

About 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide

4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide (PubChem CID 17480377) has the molecular formula C18H20ClFN2O4S and a molecular weight of 414.89 g/mol. Its IUPAC name is 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide
PubChem CID17480377
Molecular FormulaC18H20ClFN2O4S
Molecular Weight414.89 g/mol
Exact Mass414.08
IUPAC Name4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H20ClFN2O4S/c1-26-10-2-9-21-18(23)14-5-3-13(4-6-14)12-22-27(24,25)15-7-8-17(20)16(19)11-15/h3-8,11,22H,2,9-10,12H2,1H3,(H,21,23)
InChIKeyMJVPKOUTWQEYLZ-UHFFFAOYSA-N
XLogP2.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593242
4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059819
N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 109059815
3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide
CID 110764723
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 4882339
[(2S)-1-amino-1-oxopropan-2-yl] 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]benzoate
CID 7898094
N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 5073710
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 20854193
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide (CID 17480377) is 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide?
The InChIKey is MJVPKOUTWQEYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O4S/c1-26-10-2-9-21-18(23)14-5-3-13(4-6-14)12-22-27(24,25)15-7-8-17(20)16(19)11-15/h3-8,11,22H,2,9-10,12H2,1H3,(H,21,23).
What are the key properties of 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide?
4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide has a molecular weight of 414.89 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 17480377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).