3-(3,4-dichlorophenyl)sulfonyl-N-pyrimidin-2-ylpropanamide

C13H11Cl2N3O3S — CID 110673977

IUPAC3-(3,4-dichlorophenyl)sulfonyl-N-pyrimidin-2-ylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ncccn1
InChIInChI=1S/C13H11Cl2N3O3S/c14-10-3-2-9(8-11(10)15)22(20,21)7-4-12(19)18-13-16-5-1-6-17-13/h1-3,5-6,8H,4,7H2,(H,16,17,18,19)
InChIKeySZTHJMPRUABKGW-UHFFFAOYSA-N
MW360.22 g/mol
LogP2.59
Rot. Bonds5

About 3-(3,4-dichlorophenyl)sulfonyl-N-pyrimidin-2-ylpropanamide

3-(3,4-dichlorophenyl)sulfonyl-N-pyrimidin-2-ylpropanamide (PubChem CID 110673977) has the molecular formula C13H11Cl2N3O3S and a molecular weight of 360.22 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)sulfonyl-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)sulfonyl-N-pyrimidin-2-ylpropanamide
PubChem CID110673977
Molecular FormulaC13H11Cl2N3O3S
Molecular Weight360.22 g/mol
Exact Mass358.99
IUPAC Name3-(3,4-dichlorophenyl)sulfonyl-N-pyrimidin-2-ylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ncccn1
InChIInChI=1S/C13H11Cl2N3O3S/c14-10-3-2-9(8-11(10)15)22(20,21)7-4-12(19)18-13-16-5-1-6-17-13/h1-3,5-6,8H,4,7H2,(H,16,17,18,19)
InChIKeySZTHJMPRUABKGW-UHFFFAOYSA-N
XLogP2.59
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dichlorophenyl)sulfonyl-N-pyrimidin-2-ylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide
CID 3163450
3-(3,4-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide
CID 110620787
3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide
CID 26589989
N-[2-chloro-4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287474
N-(3-chlorophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110420604
3-(4-chlorophenyl)sulfonyl-N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide
CID 41151675
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914
3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide
CID 110420476
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418654
3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 18560857
N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101953
N-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide
CID 110423650

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)sulfonyl-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)sulfonyl-N-pyrimidin-2-ylpropanamide (CID 110673977) is 3-(3,4-dichlorophenyl)sulfonyl-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)sulfonyl-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)sulfonyl-N-pyrimidin-2-ylpropanamide is O=C(CCS(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ncccn1.
What is the InChIKey of 3-(3,4-dichlorophenyl)sulfonyl-N-pyrimidin-2-ylpropanamide?
The InChIKey is SZTHJMPRUABKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3S/c14-10-3-2-9(8-11(10)15)22(20,21)7-4-12(19)18-13-16-5-1-6-17-13/h1-3,5-6,8H,4,7H2,(H,16,17,18,19).
What are the key properties of 3-(3,4-dichlorophenyl)sulfonyl-N-pyrimidin-2-ylpropanamide?
3-(3,4-dichlorophenyl)sulfonyl-N-pyrimidin-2-ylpropanamide has a molecular weight of 360.22 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)sulfonyl-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 110673977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).