6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide

C10H14ClN3O3S — CID 114175120

IUPAC6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H14ClN3O3S/c1-14(2)18(16,17)6-5-12-10(15)8-3-4-9(11)13-7-8/h3-4,7H,5-6H2,1-2H3,(H,12,15)
InChIKeyBNMOAPLBWBEKHO-UHFFFAOYSA-N
MW291.76 g/mol
LogP0.36
Rot. Bonds5

About 6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide

6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide (PubChem CID 114175120) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide
PubChem CID114175120
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H14ClN3O3S/c1-14(2)18(16,17)6-5-12-10(15)8-3-4-9(11)13-7-8/h3-4,7H,5-6H2,1-2H3,(H,12,15)
InChIKeyBNMOAPLBWBEKHO-UHFFFAOYSA-N
XLogP0.36
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 50.36
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

4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341849
6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridazine-3-carboxamide
CID 114175119
4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 114175557
4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 106333004
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115627725
2-amino-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-carboxamide
CID 106342687
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide
CID 106336199
6-chloro-N-(cyanomethyl)pyridine-3-carboxamide
CID 61248726
6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 18070777
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60668368

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide (CID 114175120) is 6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide is CN(C)S(=O)(=O)CCNC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide?
The InChIKey is BNMOAPLBWBEKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-14(2)18(16,17)6-5-12-10(15)8-3-4-9(11)13-7-8/h3-4,7H,5-6H2,1-2H3,(H,12,15).
What are the key properties of 6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide?
6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide has a molecular weight of 291.76 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 114175120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).