2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide

C13H17ClN4O2S — CID 61217770

IUPAC2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide
SMILESCc1cc(C)n(CCCNS(=O)(=O)c2cccnc2Cl)n1
InChIInChI=1S/C13H17ClN4O2S/c1-10-9-11(2)18(17-10)8-4-7-16-21(19,20)12-5-3-6-15-13(12)14/h3,5-6,9,16H,4,7-8H2,1-2H3
InChIKeyQOBFVIFCLPHZFU-UHFFFAOYSA-N
MW328.83 g/mol
LogP1.92
Rot. Bonds6

About 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide

2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide (PubChem CID 61217770) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.83 g/mol. Its IUPAC name is 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide
PubChem CID61217770
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.83 g/mol
Exact Mass328.08
IUPAC Name2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide
SMILESCc1cc(C)n(CCCNS(=O)(=O)c2cccnc2Cl)n1
InChIInChI=1S/C13H17ClN4O2S/c1-10-9-11(2)18(17-10)8-4-7-16-21(19,20)12-5-3-6-15-13(12)14/h3,5-6,9,16H,4,7-8H2,1-2H3
InChIKeyQOBFVIFCLPHZFU-UHFFFAOYSA-N
XLogP1.92
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-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

5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207528
2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide
CID 61046913
2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 43415001
2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide
CID 61250348
3,4-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 110716709
2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 113239631
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 78863268
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide
CID 114536613
3-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 115572659
3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 115571467
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 102609400

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide (CID 61217770) is 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide is Cc1cc(C)n(CCCNS(=O)(=O)c2cccnc2Cl)n1.
What is the InChIKey of 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide?
The InChIKey is QOBFVIFCLPHZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2S/c1-10-9-11(2)18(17-10)8-4-7-16-21(19,20)12-5-3-6-15-13(12)14/h3,5-6,9,16H,4,7-8H2,1-2H3.
What are the key properties of 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide?
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide has a molecular weight of 328.83 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 61217770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).