2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride

C6H10ClN3O4S2 — CID 81358188

IUPAC2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride
SMILESCn1cc(S(=O)(=O)NCCS(=O)(=O)Cl)cn1
InChIInChI=1S/C6H10ClN3O4S2/c1-10-5-6(4-8-10)16(13,14)9-2-3-15(7,11)12/h4-5,9H,2-3H2,1H3
InChIKeyXMQWLEBEEBGNBY-UHFFFAOYSA-N
MW287.75 g/mol
LogP-0.73
Rot. Bonds5

About 2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride

2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride (PubChem CID 81358188) has the molecular formula C6H10ClN3O4S2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride
PubChem CID81358188
Molecular FormulaC6H10ClN3O4S2
Molecular Weight287.75 g/mol
Exact Mass286.98
IUPAC Name2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride
SMILESCn1cc(S(=O)(=O)NCCS(=O)(=O)Cl)cn1
InChIInChI=1S/C6H10ClN3O4S2/c1-10-5-6(4-8-10)16(13,14)9-2-3-15(7,11)12/h4-5,9H,2-3H2,1H3
InChIKeyXMQWLEBEEBGNBY-UHFFFAOYSA-N
XLogP-0.73
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride 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

1-methyl-N-(2-sulfamoylethyl)pyrazole-4-sulfonamide
CID 62063368
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide
CID 107849199
N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide
CID 65032541
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783
N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide
CID 107322883
1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114616511
4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171
N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide
CID 115638532
5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 62033979
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 94025310
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 113285935

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride (CID 81358188) is 2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride is Cn1cc(S(=O)(=O)NCCS(=O)(=O)Cl)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride?
The InChIKey is XMQWLEBEEBGNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O4S2/c1-10-5-6(4-8-10)16(13,14)9-2-3-15(7,11)12/h4-5,9H,2-3H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride?
2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride has a molecular weight of 287.75 g/mol, XLogP of -0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride is sourced from PubChem (CID 81358188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).