3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea

C10H15ClN4O4S — CID 83114327

IUPAC3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C10H15ClN4O4S/c1-15(2)10(17)12-3-4-14-20(18,19)7-5-8(11)9(16)13-6-7/h5-6,14H,3-4H2,1-2H3,(H,12,17)(H,13,16)
InChIKeyOKKGHEBBQBMVPU-UHFFFAOYSA-N
MW322.77 g/mol
LogP-0.42
Rot. Bonds5

About 3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea

3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea (PubChem CID 83114327) has the molecular formula C10H15ClN4O4S and a molecular weight of 322.77 g/mol. Its IUPAC name is 3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea
PubChem CID83114327
Molecular FormulaC10H15ClN4O4S
Molecular Weight322.77 g/mol
Exact Mass322.05
IUPAC Name3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C10H15ClN4O4S/c1-15(2)10(17)12-3-4-14-20(18,19)7-5-8(11)9(16)13-6-7/h5-6,14H,3-4H2,1-2H3,(H,12,17)(H,13,16)
InChIKeyOKKGHEBBQBMVPU-UHFFFAOYSA-N
XLogP-0.42
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 5-0.42
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

N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide
CID 64608272
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid
CID 64606557
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]-N-methylacetamide
CID 64607870
5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106149451
5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide
CID 64609049
5-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 115361937
5-chloro-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-sulfonamide
CID 64608644
5-chloro-N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 66107588
5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 113450761
5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102700034
5-chloro-N-(2-hydroxy-3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608871
3-[2-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108751

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea (CID 83114327) is 3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea?
The InChIKey is OKKGHEBBQBMVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O4S/c1-15(2)10(17)12-3-4-14-20(18,19)7-5-8(11)9(16)13-6-7/h5-6,14H,3-4H2,1-2H3,(H,12,17)(H,13,16).
What are the key properties of 3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea?
3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea has a molecular weight of 322.77 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83114327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).