N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide

C18H19Cl2N3O4S — CID 4885365

IUPACN-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide
SMILESNC(=O)CCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2N3O4S/c19-13-3-1-12(2-4-13)11-22-18(25)16(9-10-17(21)24)23-28(26,27)15-7-5-14(20)6-8-15/h1-8,16,23H,9-11H2,(H2,21,24)(H,22,25)
InChIKeyLVHQPCGWQYJIBP-UHFFFAOYSA-N
MW444.34 g/mol
LogP2.22
Rot. Bonds9

About N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide

N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide (PubChem CID 4885365) has the molecular formula C18H19Cl2N3O4S and a molecular weight of 444.34 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide
PubChem CID4885365
Molecular FormulaC18H19Cl2N3O4S
Molecular Weight444.34 g/mol
Exact Mass443.05
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide
SMILESNC(=O)CCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2N3O4S/c19-13-3-1-12(2-4-13)11-22-18(25)16(9-10-17(21)24)23-28(26,27)15-7-5-14(20)6-8-15/h1-8,16,23H,9-11H2,(H2,21,24)(H,22,25)
InChIKeyLVHQPCGWQYJIBP-UHFFFAOYSA-N
XLogP2.22
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.34
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 2127096
2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 3970972
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide
CID 71453379
(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-4-methylpentanamide
CID 71455080
(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide
CID 71456882
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,5-difluorophenyl)methyl]amino]-4-methylpentanamide
CID 71456884
(2R)-2-[benzyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 71458731
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-4-methylpentanamide
CID 71460557
(2R)-2-[[4-(chloromethyl)phenyl]methyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 71462263
N-(4-chlorobenzyl)-2-{[(4-methylphenyl)sulfonyl]amino}propanamide
CID 2947130
1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide
CID 2967611
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11069884

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide (CID 4885365) is N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide is NC(=O)CCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide?
The InChIKey is LVHQPCGWQYJIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O4S/c19-13-3-1-12(2-4-13)11-22-18(25)16(9-10-17(21)24)23-28(26,27)15-7-5-14(20)6-8-15/h1-8,16,23H,9-11H2,(H2,21,24)(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide?
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide has a molecular weight of 444.34 g/mol, XLogP of 2.22, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide is sourced from PubChem (CID 4885365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).