2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-diethylpentanediamide

C15H21Cl2N3O4S — CID 44565332

IUPAC2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-diethylpentanediamide
SMILESCCNC(=O)CCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCC
InChIInChI=1S/C15H21Cl2N3O4S/c1-3-18-14(21)8-7-12(15(22)19-4-2)20-25(23,24)13-9-10(16)5-6-11(13)17/h5-6,9,12,20H,3-4,7-8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyPQCFMTVTMKYKPI-UHFFFAOYSA-N
MW410.32 g/mol
LogP1.69
Rot. Bonds9

About 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-diethylpentanediamide

2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-diethylpentanediamide (PubChem CID 44565332) has the molecular formula C15H21Cl2N3O4S and a molecular weight of 410.32 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-diethylpentanediamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-diethylpentanediamide
PubChem CID44565332
Molecular FormulaC15H21Cl2N3O4S
Molecular Weight410.32 g/mol
Exact Mass409.06
IUPAC Name2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-diethylpentanediamide
SMILESCCNC(=O)CCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCC
InChIInChI=1S/C15H21Cl2N3O4S/c1-3-18-14(21)8-7-12(15(22)19-4-2)20-25(23,24)13-9-10(16)5-6-11(13)17/h5-6,9,12,20H,3-4,7-8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyPQCFMTVTMKYKPI-UHFFFAOYSA-N
XLogP1.69
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-diethylpentanediamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-diethylpentanediamide (CID 44565332) is 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-diethylpentanediamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-diethylpentanediamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-diethylpentanediamide is CCNC(=O)CCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCC.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-diethylpentanediamide?
The InChIKey is PQCFMTVTMKYKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O4S/c1-3-18-14(21)8-7-12(15(22)19-4-2)20-25(23,24)13-9-10(16)5-6-11(13)17/h5-6,9,12,20H,3-4,7-8H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-diethylpentanediamide?
2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-diethylpentanediamide has a molecular weight of 410.32 g/mol, XLogP of 1.69, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-diethylpentanediamide is sourced from PubChem (CID 44565332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).