2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide

C19H22ClFN2O3S — CID 31138592

IUPAC2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2ccccc2F)c1
InChIInChI=1S/C19H22ClFN2O3S/c1-4-23(5-2)27(25,26)15-10-11-17(20)16(12-15)19(24)22(3)13-14-8-6-7-9-18(14)21/h6-12H,4-5,13H2,1-3H3
InChIKeyPDNQOBJTQHTJRV-UHFFFAOYSA-N
MW412.91 g/mol
LogP3.78
Rot. Bonds7

About 2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide

2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 31138592) has the molecular formula C19H22ClFN2O3S and a molecular weight of 412.91 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID31138592
Molecular FormulaC19H22ClFN2O3S
Molecular Weight412.91 g/mol
Exact Mass412.10
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2ccccc2F)c1
InChIInChI=1S/C19H22ClFN2O3S/c1-4-23(5-2)27(25,26)15-10-11-17(20)16(12-15)19(24)22(3)13-14-8-6-7-9-18(14)21/h6-12H,4-5,13H2,1-3H3
InChIKeyPDNQOBJTQHTJRV-UHFFFAOYSA-N
XLogP3.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 17411092
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
CID 39142258
N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 39914710
N-(1,3-benzothiazol-2-ylmethyl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide
CID 41440134
2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78768857
5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 31138800
N-benzyl-5-[benzyl(methyl)sulfamoyl]-2-chloro-N-methylbenzamide
CID 24539973
4-chloro-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 60628192
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 34940830
2-chloro-5-(diethylsulfamoyl)benzoate
CID 4206054
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81226236
3-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937737

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide (CID 31138592) is 2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2ccccc2F)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is PDNQOBJTQHTJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O3S/c1-4-23(5-2)27(25,26)15-10-11-17(20)16(12-15)19(24)22(3)13-14-8-6-7-9-18(14)21/h6-12H,4-5,13H2,1-3H3.
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide?
2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 412.91 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 31138592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).