5-[1-(difluoromethylsulfonylamino)ethyl]-2-methoxybenzenesulfonyl chloride

C10H12ClF2NO5S2 — CID 66243261

IUPAC5-[1-(difluoromethylsulfonylamino)ethyl]-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(C(C)NS(=O)(=O)C(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H12ClF2NO5S2/c1-6(14-21(17,18)10(12)13)7-3-4-8(19-2)9(5-7)20(11,15)16/h3-6,10,14H,1-2H3
InChIKeyISBFSRUOXMZDHJ-UHFFFAOYSA-N
MW363.79 g/mol
LogP1.83
Rot. Bonds6

About 5-[1-(difluoromethylsulfonylamino)ethyl]-2-methoxybenzenesulfonyl chloride

5-[1-(difluoromethylsulfonylamino)ethyl]-2-methoxybenzenesulfonyl chloride (PubChem CID 66243261) has the molecular formula C10H12ClF2NO5S2 and a molecular weight of 363.79 g/mol. Its IUPAC name is 5-[1-(difluoromethylsulfonylamino)ethyl]-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-[1-(difluoromethylsulfonylamino)ethyl]-2-methoxybenzenesulfonyl chloride
PubChem CID66243261
Molecular FormulaC10H12ClF2NO5S2
Molecular Weight363.79 g/mol
Exact Mass362.98
IUPAC Name5-[1-(difluoromethylsulfonylamino)ethyl]-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(C(C)NS(=O)(=O)C(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H12ClF2NO5S2/c1-6(14-21(17,18)10(12)13)7-3-4-8(19-2)9(5-7)20(11,15)16/h3-6,10,14H,1-2H3
InChIKeyISBFSRUOXMZDHJ-UHFFFAOYSA-N
XLogP1.83
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.79
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[1-(difluoromethylsulfonylamino)ethyl]-2-methoxybenzenesulfonyl 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

5-(dihydroxymethyl)-2-methoxybenzenesulfonyl chloride
CID 134424202
5-[1-(butanoylamino)ethyl]-2-methoxybenzenesulfonyl chloride
CID 66241609
5-[amino(methylsulfonyl)methyl]-2-methoxybenzenesulfonyl chloride
CID 20848493
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 28560607
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 28560633
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide
CID 47013228
5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride
CID 84711706
N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 43001312
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide
CID 47371507
4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide
CID 43134164
2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride
CID 53399143

Frequently Asked Questions

What is the IUPAC name of 5-[1-(difluoromethylsulfonylamino)ethyl]-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 5-[1-(difluoromethylsulfonylamino)ethyl]-2-methoxybenzenesulfonyl chloride (CID 66243261) is 5-[1-(difluoromethylsulfonylamino)ethyl]-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-[1-(difluoromethylsulfonylamino)ethyl]-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 5-[1-(difluoromethylsulfonylamino)ethyl]-2-methoxybenzenesulfonyl chloride is COc1ccc(C(C)NS(=O)(=O)C(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-[1-(difluoromethylsulfonylamino)ethyl]-2-methoxybenzenesulfonyl chloride?
The InChIKey is ISBFSRUOXMZDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO5S2/c1-6(14-21(17,18)10(12)13)7-3-4-8(19-2)9(5-7)20(11,15)16/h3-6,10,14H,1-2H3.
What are the key properties of 5-[1-(difluoromethylsulfonylamino)ethyl]-2-methoxybenzenesulfonyl chloride?
5-[1-(difluoromethylsulfonylamino)ethyl]-2-methoxybenzenesulfonyl chloride has a molecular weight of 363.79 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(difluoromethylsulfonylamino)ethyl]-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 66243261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).