2-[(2-chloro-4-pyridinyl)sulfonylamino]-N,N,4-trimethylpentanamide

C13H20ClN3O3S — CID 61053074

IUPAC2-[(2-chloro-4-pyridinyl)sulfonylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NS(=O)(=O)c1ccnc(Cl)c1)C(=O)N(C)C
InChIInChI=1S/C13H20ClN3O3S/c1-9(2)7-11(13(18)17(3)4)16-21(19,20)10-5-6-15-12(14)8-10/h5-6,8-9,11,16H,7H2,1-4H3
InChIKeyZRCBNXJEMPNYEY-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.52
Rot. Bonds6

About 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N,N,4-trimethylpentanamide

2-[(2-chloro-4-pyridinyl)sulfonylamino]-N,N,4-trimethylpentanamide (PubChem CID 61053074) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)sulfonylamino]-N,N,4-trimethylpentanamide
PubChem CID61053074
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name2-[(2-chloro-4-pyridinyl)sulfonylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NS(=O)(=O)c1ccnc(Cl)c1)C(=O)N(C)C
InChIInChI=1S/C13H20ClN3O3S/c1-9(2)7-11(13(18)17(3)4)16-21(19,20)10-5-6-15-12(14)8-10/h5-6,8-9,11,16H,7H2,1-4H3
InChIKeyZRCBNXJEMPNYEY-UHFFFAOYSA-N
XLogP1.52
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 51891718
2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide
CID 54950253
2-chloro-N-(3,3-dimethylbutan-2-yl)pyridine-4-sulfonamide
CID 104828022
methyl 2-[(2-chloro-4-pyridinyl)sulfonylamino]-3-methylpentanoate
CID 61046444
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005
2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide
CID 107856823
2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide
CID 54895920
(2S)-2-[(2-bromophenyl)sulfonylamino]-N,N,4-trimethylpentanamide
CID 51979876
2-chloro-N-octan-4-ylpyridine-4-sulfonamide
CID 114138590
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-4-methylpentanoate
CID 43404937
2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 114917725
2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide
CID 61051398

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N,N,4-trimethylpentanamide?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N,N,4-trimethylpentanamide (CID 61053074) is 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N,N,4-trimethylpentanamide is CC(C)CC(NS(=O)(=O)c1ccnc(Cl)c1)C(=O)N(C)C.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N,N,4-trimethylpentanamide?
The InChIKey is ZRCBNXJEMPNYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-9(2)7-11(13(18)17(3)4)16-21(19,20)10-5-6-15-12(14)8-10/h5-6,8-9,11,16H,7H2,1-4H3.
What are the key properties of 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N,N,4-trimethylpentanamide?
2-[(2-chloro-4-pyridinyl)sulfonylamino]-N,N,4-trimethylpentanamide has a molecular weight of 333.84 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 61053074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).