4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide

C9H17ClN4O3S — CID 114172502

IUPAC4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide
SMILESCOCCNCCNS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C9H17ClN4O3S/c1-14-9(8(10)7-12-14)18(15,16)13-4-3-11-5-6-17-2/h7,11,13H,3-6H2,1-2H3
InChIKeyMFYJGJFLXFAMRS-UHFFFAOYSA-N
MW296.78 g/mol
LogP-0.41
Rot. Bonds8

About 4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide

4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide (PubChem CID 114172502) has the molecular formula C9H17ClN4O3S and a molecular weight of 296.78 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide
PubChem CID114172502
Molecular FormulaC9H17ClN4O3S
Molecular Weight296.78 g/mol
Exact Mass296.07
IUPAC Name4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide
SMILESCOCCNCCNS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C9H17ClN4O3S/c1-14-9(8(10)7-12-14)18(15,16)13-4-3-11-5-6-17-2/h7,11,13H,3-6H2,1-2H3
InChIKeyMFYJGJFLXFAMRS-UHFFFAOYSA-N
XLogP-0.41
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-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

4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide
CID 106316125
N-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazole-3-sulfonamide
CID 113444011
4-chloro-N-(4-cyanobutyl)-1-methylpyrazole-5-sulfonamide
CID 106150633
4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide
CID 106315276
2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039704
methyl 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-iodopropanoate
CID 114172625
3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039490
2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717314
N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 83040038
N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 19681770
N-(3-bromo-2-methylpropyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106316093
4-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-1-methylpyrazole-5-sulfonamide
CID 114150470

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide (CID 114172502) is 4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide is COCCNCCNS(=O)(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide?
The InChIKey is MFYJGJFLXFAMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN4O3S/c1-14-9(8(10)7-12-14)18(15,16)13-4-3-11-5-6-17-2/h7,11,13H,3-6H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide?
4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide has a molecular weight of 296.78 g/mol, XLogP of -0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 114172502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).