2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide

C13H14ClN3O2S — CID 60905954

IUPAC2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(NCCCc1ccccc1)c1cnc(Cl)nc1
InChIInChI=1S/C13H14ClN3O2S/c14-13-15-9-12(10-16-13)20(18,19)17-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,17H,4,7-8H2
InChIKeyYNPCHAPTKZLQJS-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.04
Rot. Bonds6

About 2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide

2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide (PubChem CID 60905954) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
PubChem CID60905954
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(NCCCc1ccccc1)c1cnc(Cl)nc1
InChIInChI=1S/C13H14ClN3O2S/c14-13-15-9-12(10-16-13)20(18,19)17-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,17H,4,7-8H2
InChIKeyYNPCHAPTKZLQJS-UHFFFAOYSA-N
XLogP2.04
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(3-phenylpropyl)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-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
CID 62146342
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
CID 79763049
6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide
CID 110408505
2-chloro-N-propylpyrimidine-5-sulfonamide
CID 43456271
2,4,5-trichloro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680947
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
4-iodo-N-(4-phenylbutyl)benzenesulfonamide
CID 5163174
methyl 4-[(2-chloropyrimidin-5-yl)sulfonylamino]butanoate
CID 61249062
4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide
CID 134060499
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide
CID 106033837
4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61063461

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide (CID 60905954) is 2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide is O=S(=O)(NCCCc1ccccc1)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide?
The InChIKey is YNPCHAPTKZLQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c14-13-15-9-12(10-16-13)20(18,19)17-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,17H,4,7-8H2.
What are the key properties of 2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide?
2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 60905954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).