N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide

C12H17Cl2N3O3S — CID 115641375

IUPACN-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide
SMILESCC(C)(C)NC(=O)CCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N3O3S/c1-12(2,3)17-10(18)4-5-16-21(19,20)8-6-9(13)11(14)15-7-8/h6-7,16H,4-5H2,1-3H3,(H,17,18)
InChIKeyTVTFCVRGPHKLOA-UHFFFAOYSA-N
MW354.26 g/mol
LogP1.97
Rot. Bonds5

About N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide

N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide (PubChem CID 115641375) has the molecular formula C12H17Cl2N3O3S and a molecular weight of 354.26 g/mol. Its IUPAC name is N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide
PubChem CID115641375
Molecular FormulaC12H17Cl2N3O3S
Molecular Weight354.26 g/mol
Exact Mass353.04
IUPAC NameN-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide
SMILESCC(C)(C)NC(=O)CCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N3O3S/c1-12(2,3)17-10(18)4-5-16-21(19,20)8-6-9(13)11(14)15-7-8/h6-7,16H,4-5H2,1-3H3,(H,17,18)
InChIKeyTVTFCVRGPHKLOA-UHFFFAOYSA-N
XLogP1.97
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 64608415
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
CID 83110624
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanamide
CID 64608732
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid
CID 64608025
N-tert-butyl-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78777743
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide
CID 110309462
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64624600
5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65106876
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide (CID 115641375) is N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide is CC(C)(C)NC(=O)CCNS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide?
The InChIKey is TVTFCVRGPHKLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O3S/c1-12(2,3)17-10(18)4-5-16-21(19,20)8-6-9(13)11(14)15-7-8/h6-7,16H,4-5H2,1-3H3,(H,17,18).
What are the key properties of N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide?
N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide has a molecular weight of 354.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide is sourced from PubChem (CID 115641375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).