4-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide

C14H15N3O3S — CID 2568809

IUPAC4-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C14H15N3O3S/c1-17(2)21(19,20)13-7-5-11(6-8-13)14(18)16-12-4-3-9-15-10-12/h3-10H,1-2H3,(H,16,18)
InChIKeyRZYMZMQDQOJWQM-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.58
Rot. Bonds4

About 4-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide

4-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide (PubChem CID 2568809) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide
PubChem CID2568809
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C14H15N3O3S/c1-17(2)21(19,20)13-7-5-11(6-8-13)14(18)16-12-4-3-9-15-10-12/h3-10H,1-2H3,(H,16,18)
InChIKeyRZYMZMQDQOJWQM-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 4-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide (CID 2568809) is 4-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide?
The InChIKey is RZYMZMQDQOJWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-17(2)21(19,20)13-7-5-11(6-8-13)14(18)16-12-4-3-9-15-10-12/h3-10H,1-2H3,(H,16,18).
What are the key properties of 4-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide?
4-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide 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 4-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 2568809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).