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

C23H37Cl2N3O4S — CID 44565357

IUPAC2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-dihexylpentanediamide
SMILESCCCCCCNC(=O)CCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCCCCC
InChIInChI=1S/C23H37Cl2N3O4S/c1-3-5-7-9-15-26-22(29)14-13-20(23(30)27-16-10-8-6-4-2)28-33(31,32)21-17-18(24)11-12-19(21)25/h11-12,17,20,28H,3-10,13-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyRYZXTLZAIMGNES-UHFFFAOYSA-N
MW522.54 g/mol
LogP4.81
Rot. Bonds17

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

2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-dihexylpentanediamide (PubChem CID 44565357) has the molecular formula C23H37Cl2N3O4S and a molecular weight of 522.54 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-dihexylpentanediamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-dihexylpentanediamide
PubChem CID44565357
Molecular FormulaC23H37Cl2N3O4S
Molecular Weight522.54 g/mol
Exact Mass521.19
IUPAC Name2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-dihexylpentanediamide
SMILESCCCCCCNC(=O)CCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCCCCC
InChIInChI=1S/C23H37Cl2N3O4S/c1-3-5-7-9-15-26-22(29)14-13-20(23(30)27-16-10-8-6-4-2)28-33(31,32)21-17-18(24)11-12-19(21)25/h11-12,17,20,28H,3-10,13-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyRYZXTLZAIMGNES-UHFFFAOYSA-N
XLogP4.81
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.54
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide
CID 25199435
2-[(2,5-dichlorophenyl)sulfonylamino]-N-heptan-2-yl-4-methylsulfanylbutanamide
CID 43019434
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-ethoxypropyl)propanamide
CID 126397173
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 126392529
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
(2S)-2-(hexanoylamino)-N,N'-dioctadecylpentanediamide
CID 71380985
(2S)-2-(dodecanoylamino)-N,N'-dioctylpentanediamide
CID 71380986
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
(2S)-2-[(2-chloro-5-methylphenyl)sulfonylamino]-N,N'-di(propan-2-yl)pentanediamide
CID 25199185
2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 43017438
(2S)-N,N'-dibutyl-2-(octanoylamino)pentanediamide
CID 71362769

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-dihexylpentanediamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-dihexylpentanediamide (CID 44565357) is 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-dihexylpentanediamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-dihexylpentanediamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-dihexylpentanediamide is CCCCCCNC(=O)CCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCCCCC.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-dihexylpentanediamide?
The InChIKey is RYZXTLZAIMGNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37Cl2N3O4S/c1-3-5-7-9-15-26-22(29)14-13-20(23(30)27-16-10-8-6-4-2)28-33(31,32)21-17-18(24)11-12-19(21)25/h11-12,17,20,28H,3-10,13-16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-dihexylpentanediamide?
2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-dihexylpentanediamide has a molecular weight of 522.54 g/mol, XLogP of 4.81, 17 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'-dihexylpentanediamide is sourced from PubChem (CID 44565357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).