N-[2-chloro-5-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide

C14H14ClN3O3S — CID 4878064

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccncc2)c1
InChIInChI=1S/C14H14ClN3O3S/c1-18(2)22(20,21)11-3-4-12(15)13(9-11)17-14(19)10-5-7-16-8-6-10/h3-9H,1-2H3,(H,17,19)
InChIKeyROAXZMPJQIYLNJ-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.24
Rot. Bonds4

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide (PubChem CID 4878064) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide
PubChem CID4878064
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccncc2)c1
InChIInChI=1S/C14H14ClN3O3S/c1-18(2)22(20,21)11-3-4-12(15)13(9-11)17-14(19)10-5-7-16-8-6-10/h3-9H,1-2H3,(H,17,19)
InChIKeyROAXZMPJQIYLNJ-UHFFFAOYSA-N
XLogP2.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide (CID 4878064) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide is CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide?
The InChIKey is ROAXZMPJQIYLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c1-18(2)22(20,21)11-3-4-12(15)13(9-11)17-14(19)10-5-7-16-8-6-10/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide has a molecular weight of 339.80 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 4878064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).