2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide

C10H5ClF3N3O2S — CID 62813531

IUPAC2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1F)c1cnc(Cl)nc1
InChIInChI=1S/C10H5ClF3N3O2S/c11-10-15-3-6(4-16-10)20(18,19)17-8-2-5(12)1-7(13)9(8)14/h1-4,17H
InChIKeyYFAWZXSUDPJVDW-UHFFFAOYSA-N
MW323.68 g/mol
LogP2.35
Rot. Bonds3

About 2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide

2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide (PubChem CID 62813531) has the molecular formula C10H5ClF3N3O2S and a molecular weight of 323.68 g/mol. Its IUPAC name is 2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide
PubChem CID62813531
Molecular FormulaC10H5ClF3N3O2S
Molecular Weight323.68 g/mol
Exact Mass322.97
IUPAC Name2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1F)c1cnc(Cl)nc1
InChIInChI=1S/C10H5ClF3N3O2S/c11-10-15-3-6(4-16-10)20(18,19)17-8-2-5(12)1-7(13)9(8)14/h1-4,17H
InChIKeyYFAWZXSUDPJVDW-UHFFFAOYSA-N
XLogP2.35
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.68
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide 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

2-chloro-N-(3,5-difluorophenyl)pyrimidine-5-sulfonamide
CID 43456351
N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102692960
N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62143840
5-amino-2-chloro-N-(2,3,5-trifluorophenyl)benzenesulfonamide
CID 62810507
5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106056264
N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide
CID 43805950
6-amino-5-chloro-N-(2,3-difluorophenyl)pyridine-3-sulfonamide
CID 64600885
5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056250
2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide
CID 43456340
N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
CID 107788764
2,5-dichloro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
CID 79632308
4-bromo-2-fluoro-N-(2,3,5-trifluorophenyl)benzenesulfonamide
CID 116528581

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide (CID 62813531) is 2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide is O=S(=O)(Nc1cc(F)cc(F)c1F)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide?
The InChIKey is YFAWZXSUDPJVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N3O2S/c11-10-15-3-6(4-16-10)20(18,19)17-8-2-5(12)1-7(13)9(8)14/h1-4,17H.
What are the key properties of 2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide?
2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide has a molecular weight of 323.68 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62813531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).