N-(benzenesulfonyl)-6-(3,4-dichlorophenyl)pyrimidine-4-carboxamide

C17H11Cl2N3O3S — CID 71282805

IUPACN-(benzenesulfonyl)-6-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C17H11Cl2N3O3S/c18-13-7-6-11(8-14(13)19)15-9-16(21-10-20-15)17(23)22-26(24,25)12-4-2-1-3-5-12/h1-10H,(H,22,23)
InChIKeyHNXMFENKDNAZDD-UHFFFAOYSA-N
MW408.27 g/mol
LogP3.57
Rot. Bonds4

About N-(benzenesulfonyl)-6-(3,4-dichlorophenyl)pyrimidine-4-carboxamide

N-(benzenesulfonyl)-6-(3,4-dichlorophenyl)pyrimidine-4-carboxamide (PubChem CID 71282805) has the molecular formula C17H11Cl2N3O3S and a molecular weight of 408.27 g/mol. Its IUPAC name is N-(benzenesulfonyl)-6-(3,4-dichlorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-6-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
PubChem CID71282805
Molecular FormulaC17H11Cl2N3O3S
Molecular Weight408.27 g/mol
Exact Mass406.99
IUPAC NameN-(benzenesulfonyl)-6-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C17H11Cl2N3O3S/c18-13-7-6-11(8-14(13)19)15-9-16(21-10-20-15)17(23)22-26(24,25)12-4-2-1-3-5-12/h1-10H,(H,22,23)
InChIKeyHNXMFENKDNAZDD-UHFFFAOYSA-N
XLogP3.57
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.27
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(benzenesulfonyl)-6-(3,4-dichlorophenyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-6-(3,4-dichlorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-6-(3,4-dichlorophenyl)pyrimidine-4-carboxamide (CID 71282805) is N-(benzenesulfonyl)-6-(3,4-dichlorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-6-(3,4-dichlorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-6-(3,4-dichlorophenyl)pyrimidine-4-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1.
What is the InChIKey of N-(benzenesulfonyl)-6-(3,4-dichlorophenyl)pyrimidine-4-carboxamide?
The InChIKey is HNXMFENKDNAZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O3S/c18-13-7-6-11(8-14(13)19)15-9-16(21-10-20-15)17(23)22-26(24,25)12-4-2-1-3-5-12/h1-10H,(H,22,23).
What are the key properties of N-(benzenesulfonyl)-6-(3,4-dichlorophenyl)pyrimidine-4-carboxamide?
N-(benzenesulfonyl)-6-(3,4-dichlorophenyl)pyrimidine-4-carboxamide has a molecular weight of 408.27 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-6-(3,4-dichlorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 71282805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).