2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-di(propan-2-yl)pentanediamide

C17H25Cl2N3O4S — CID 44565333

IUPAC2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-di(propan-2-yl)pentanediamide
SMILESCC(C)NC(=O)CCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC(C)C
InChIInChI=1S/C17H25Cl2N3O4S/c1-10(2)20-16(23)8-7-14(17(24)21-11(3)4)22-27(25,26)15-9-12(18)5-6-13(15)19/h5-6,9-11,14,22H,7-8H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyWBUPWRCLPHHIKH-UHFFFAOYSA-N
MW438.38 g/mol
LogP2.47
Rot. Bonds9

About 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-di(propan-2-yl)pentanediamide

2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-di(propan-2-yl)pentanediamide (PubChem CID 44565333) has the molecular formula C17H25Cl2N3O4S and a molecular weight of 438.38 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-di(propan-2-yl)pentanediamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-di(propan-2-yl)pentanediamide
PubChem CID44565333
Molecular FormulaC17H25Cl2N3O4S
Molecular Weight438.38 g/mol
Exact Mass437.09
IUPAC Name2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-di(propan-2-yl)pentanediamide
SMILESCC(C)NC(=O)CCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC(C)C
InChIInChI=1S/C17H25Cl2N3O4S/c1-10(2)20-16(23)8-7-14(17(24)21-11(3)4)22-27(25,26)15-9-12(18)5-6-13(15)19/h5-6,9-11,14,22H,7-8H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyWBUPWRCLPHHIKH-UHFFFAOYSA-N
XLogP2.47
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.38
LogP ≤ 52.47
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'-di(propan-2-yl)pentanediamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-di(propan-2-yl)pentanediamide (CID 44565333) is 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-di(propan-2-yl)pentanediamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-di(propan-2-yl)pentanediamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-di(propan-2-yl)pentanediamide is CC(C)NC(=O)CCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC(C)C.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-di(propan-2-yl)pentanediamide?
The InChIKey is WBUPWRCLPHHIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N3O4S/c1-10(2)20-16(23)8-7-14(17(24)21-11(3)4)22-27(25,26)15-9-12(18)5-6-13(15)19/h5-6,9-11,14,22H,7-8H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-di(propan-2-yl)pentanediamide?
2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-di(propan-2-yl)pentanediamide has a molecular weight of 438.38 g/mol, XLogP of 2.47, 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'-di(propan-2-yl)pentanediamide is sourced from PubChem (CID 44565333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).