2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride

C10H14ClNO4S2 — CID 81357871

IUPAC2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride
SMILESCc1ccc(S(=O)(=O)NCCS(=O)(=O)Cl)cc1C
InChIInChI=1S/C10H14ClNO4S2/c1-8-3-4-10(7-9(8)2)18(15,16)12-5-6-17(11,13)14/h3-4,7,12H,5-6H2,1-2H3
InChIKeyVJDGSFJQMNZUSS-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.15
Rot. Bonds5

About 2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride

2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride (PubChem CID 81357871) has the molecular formula C10H14ClNO4S2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride
PubChem CID81357871
Molecular FormulaC10H14ClNO4S2
Molecular Weight311.81 g/mol
Exact Mass311.01
IUPAC Name2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride
SMILESCc1ccc(S(=O)(=O)NCCS(=O)(=O)Cl)cc1C
InChIInChI=1S/C10H14ClNO4S2/c1-8-3-4-10(7-9(8)2)18(15,16)12-5-6-17(11,13)14/h3-4,7,12H,5-6H2,1-2H3
InChIKeyVJDGSFJQMNZUSS-UHFFFAOYSA-N
XLogP1.15
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
N-[2-(2,5-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100856
3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 110416909
N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide
CID 84512808
N-[2-(4-ethylphenyl)sulfanylethyl]-3,4-dimethylbenzenesulfonamide
CID 141168989
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 51159054
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 25049689
N-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide
CID 71787611
3,4-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101160
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride
CID 81358830

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride?
The IUPAC name of 2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride (CID 81357871) is 2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride?
The canonical SMILES for 2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride is Cc1ccc(S(=O)(=O)NCCS(=O)(=O)Cl)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride?
The InChIKey is VJDGSFJQMNZUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S2/c1-8-3-4-10(7-9(8)2)18(15,16)12-5-6-17(11,13)14/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride?
2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride has a molecular weight of 311.81 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride is sourced from PubChem (CID 81357871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).