(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide

C19H29Cl2N3O4S — CID 25199435

IUPAC(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide
SMILESCC(C)CNC(=O)CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCC(C)C
InChIInChI=1S/C19H29Cl2N3O4S/c1-12(2)10-22-18(25)8-7-16(19(26)23-11-13(3)4)24-29(27,28)17-9-14(20)5-6-15(17)21/h5-6,9,12-13,16,24H,7-8,10-11H2,1-4H3,(H,22,25)(H,23,26)/t16-/m0/s1
InChIKeySAWRQLQIDSYVIJ-INIZCTEOSA-N
MW466.43 g/mol
LogP2.96
Rot. Bonds11

About (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide

(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide (PubChem CID 25199435) has the molecular formula C19H29Cl2N3O4S and a molecular weight of 466.43 g/mol. Its IUPAC name is (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide.

Molecular Properties

Compound Name(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide
PubChem CID25199435
Molecular FormulaC19H29Cl2N3O4S
Molecular Weight466.43 g/mol
Exact Mass465.13
IUPAC Name(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide
SMILESCC(C)CNC(=O)CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCC(C)C
InChIInChI=1S/C19H29Cl2N3O4S/c1-12(2)10-22-18(25)8-7-16(19(26)23-11-13(3)4)24-29(27,28)17-9-14(20)5-6-15(17)21/h5-6,9,12-13,16,24H,7-8,10-11H2,1-4H3,(H,22,25)(H,23,26)/t16-/m0/s1
InChIKeySAWRQLQIDSYVIJ-INIZCTEOSA-N
XLogP2.96
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-dihexylpentanediamide
CID 44565357
(2S)-2-[(2-chloro-5-methylphenyl)sulfonylamino]-N,N'-di(propan-2-yl)pentanediamide
CID 25199185
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 55866835
methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate
CID 113253329
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 2121600
2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 43017438
2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide
CID 4320202
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
2-[(2,5-dichlorophenyl)sulfonylamino]-N-heptan-2-yl-4-methylsulfanylbutanamide
CID 43019434
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 126392529

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide?
The IUPAC name of (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide (CID 25199435) is (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide.
What is the SMILES notation for (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide?
The canonical SMILES for (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide is CC(C)CNC(=O)CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCC(C)C.
What is the InChIKey of (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide?
The InChIKey is SAWRQLQIDSYVIJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29Cl2N3O4S/c1-12(2)10-22-18(25)8-7-16(19(26)23-11-13(3)4)24-29(27,28)17-9-14(20)5-6-15(17)21/h5-6,9,12-13,16,24H,7-8,10-11H2,1-4H3,(H,22,25)(H,23,26)/t16-/m0/s1.
What are the key properties of (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide?
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide has a molecular weight of 466.43 g/mol, XLogP of 2.96, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide is sourced from PubChem (CID 25199435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).