5-[amino(methylsulfonyl)methyl]-2-methoxybenzenesulfonyl chloride

C9H12ClNO5S2 — CID 20848493

IUPAC5-[amino(methylsulfonyl)methyl]-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(C(N)S(C)(=O)=O)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H12ClNO5S2/c1-16-7-4-3-6(9(11)17(2,12)13)5-8(7)18(10,14)15/h3-5,9H,11H2,1-2H3
InChIKeyZFYJXNWHTXBUIS-UHFFFAOYSA-N
MW313.78 g/mol
LogP0.62
Rot. Bonds4

About 5-[amino(methylsulfonyl)methyl]-2-methoxybenzenesulfonyl chloride

5-[amino(methylsulfonyl)methyl]-2-methoxybenzenesulfonyl chloride (PubChem CID 20848493) has the molecular formula C9H12ClNO5S2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 5-[amino(methylsulfonyl)methyl]-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-[amino(methylsulfonyl)methyl]-2-methoxybenzenesulfonyl chloride
PubChem CID20848493
Molecular FormulaC9H12ClNO5S2
Molecular Weight313.78 g/mol
Exact Mass312.98
IUPAC Name5-[amino(methylsulfonyl)methyl]-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(C(N)S(C)(=O)=O)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H12ClNO5S2/c1-16-7-4-3-6(9(11)17(2,12)13)5-8(7)18(10,14)15/h3-5,9H,11H2,1-2H3
InChIKeyZFYJXNWHTXBUIS-UHFFFAOYSA-N
XLogP0.62
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[amino(methylsulfonyl)methyl]-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-(difluoromethylsulfonylamino)ethyl]-2-methoxybenzenesulfonyl chloride
CID 66243261
5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride
CID 84711706
5-[1-(butanoylamino)ethyl]-2-methoxybenzenesulfonyl chloride
CID 66241609
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384
2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride
CID 53399143
5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride
CID 18700405
2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride
CID 62499252
2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride
CID 13179810
2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride
CID 13106258
2-(4-methoxy-3-methylsulfonylphenyl)propanoic acid
CID 117399322
5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride
CID 54293820

Frequently Asked Questions

What is the IUPAC name of 5-[amino(methylsulfonyl)methyl]-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 5-[amino(methylsulfonyl)methyl]-2-methoxybenzenesulfonyl chloride (CID 20848493) is 5-[amino(methylsulfonyl)methyl]-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-[amino(methylsulfonyl)methyl]-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 5-[amino(methylsulfonyl)methyl]-2-methoxybenzenesulfonyl chloride is COc1ccc(C(N)S(C)(=O)=O)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-[amino(methylsulfonyl)methyl]-2-methoxybenzenesulfonyl chloride?
The InChIKey is ZFYJXNWHTXBUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO5S2/c1-16-7-4-3-6(9(11)17(2,12)13)5-8(7)18(10,14)15/h3-5,9H,11H2,1-2H3.
What are the key properties of 5-[amino(methylsulfonyl)methyl]-2-methoxybenzenesulfonyl chloride?
5-[amino(methylsulfonyl)methyl]-2-methoxybenzenesulfonyl chloride has a molecular weight of 313.78 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(methylsulfonyl)methyl]-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 20848493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).