N-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide

C19H22F2N2O4S — CID 43049204

IUPACN-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C19H22F2N2O4S/c1-13-4-7-16(28(25,26)22-8-9-27-3)11-17(13)19(24)23(2)12-14-5-6-15(20)10-18(14)21/h4-7,10-11,22H,8-9,12H2,1-3H3
InChIKeyDNHZXASEEXFZMG-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.47
Rot. Bonds8

About N-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide

N-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide (PubChem CID 43049204) has the molecular formula C19H22F2N2O4S and a molecular weight of 412.46 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
PubChem CID43049204
Molecular FormulaC19H22F2N2O4S
Molecular Weight412.46 g/mol
Exact Mass412.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C19H22F2N2O4S/c1-13-4-7-16(28(25,26)22-8-9-27-3)11-17(13)19(24)23(2)12-14-5-6-15(20)10-18(14)21/h4-7,10-11,22H,8-9,12H2,1-3H3
InChIKeyDNHZXASEEXFZMG-UHFFFAOYSA-N
XLogP2.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide (CID 43049204) is N-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide is COCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(F)cc2F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide?
The InChIKey is DNHZXASEEXFZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O4S/c1-13-4-7-16(28(25,26)22-8-9-27-3)11-17(13)19(24)23(2)12-14-5-6-15(20)10-18(14)21/h4-7,10-11,22H,8-9,12H2,1-3H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide?
N-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide has a molecular weight of 412.46 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 43049204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).