N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide

C19H21Cl2N3O3S — CID 16662027

IUPACN-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(NC(=O)N2CCCC2)cc1
InChIInChI=1S/C19H21Cl2N3O3S/c1-28(26,27)24(13-14-5-4-6-17(20)18(14)21)16-9-7-15(8-10-16)22-19(25)23-11-2-3-12-23/h4-10H,2-3,11-13H2,1H3,(H,22,25)
InChIKeyNPHYTOCJZABDCD-UHFFFAOYSA-N
MW442.37 g/mol
LogP4.59
Rot. Bonds5

About N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide

N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide (PubChem CID 16662027) has the molecular formula C19H21Cl2N3O3S and a molecular weight of 442.37 g/mol. Its IUPAC name is N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide
PubChem CID16662027
Molecular FormulaC19H21Cl2N3O3S
Molecular Weight442.37 g/mol
Exact Mass441.07
IUPAC NameN-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(NC(=O)N2CCCC2)cc1
InChIInChI=1S/C19H21Cl2N3O3S/c1-28(26,27)24(13-14-5-4-6-17(20)18(14)21)16-9-7-15(8-10-16)22-19(25)23-11-2-3-12-23/h4-10H,2-3,11-13H2,1H3,(H,22,25)
InChIKeyNPHYTOCJZABDCD-UHFFFAOYSA-N
XLogP4.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.37
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 16660952
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 21372805
N-(3-acetamidopropyl)-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide
CID 69183544
N-[(2,3-dichlorophenyl)methyl]-N-(4-pyrazol-1-ylphenyl)methanesulfonamide
CID 69193005
4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 69492654
4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide
CID 69184260
N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 17201100
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide
CID 28589773
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 56700074
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-fluorophenyl)benzamide
CID 1311064
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide
CID 1311662
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43882178

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide (CID 16662027) is N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide is CS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(NC(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is NPHYTOCJZABDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O3S/c1-28(26,27)24(13-14-5-4-6-17(20)18(14)21)16-9-7-15(8-10-16)22-19(25)23-11-2-3-12-23/h4-10H,2-3,11-13H2,1H3,(H,22,25).
What are the key properties of N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide?
N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 442.37 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 16662027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).