N-[4-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide

C14H15N3O3S — CID 1078899

IUPACN-[4-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C14H15N3O3S/c1-17(2)21(19,20)13-5-3-12(4-6-13)16-14(18)11-7-9-15-10-8-11/h3-10H,1-2H3,(H,16,18)
InChIKeyYHXYSWQOZJFLFM-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.58
Rot. Bonds4

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

N-[4-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide (PubChem CID 1078899) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide
PubChem CID1078899
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C14H15N3O3S/c1-17(2)21(19,20)13-5-3-12(4-6-13)16-14(18)11-7-9-15-10-8-11/h3-10H,1-2H3,(H,16,18)
InChIKeyYHXYSWQOZJFLFM-UHFFFAOYSA-N
XLogP1.58
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide (CID 1078899) is N-[4-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide?
The InChIKey is YHXYSWQOZJFLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-17(2)21(19,20)13-5-3-12(4-6-13)16-14(18)11-7-9-15-10-8-11/h3-10H,1-2H3,(H,16,18).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide?
N-[4-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 1078899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).