3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride

C10H13Cl2NO5S2 — CID 63245877

IUPAC3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride
SMILESCCOCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO5S2/c1-2-18-5-6-19(14,15)13-10-4-3-8(7-9(10)11)20(12,16)17/h3-4,7,13H,2,5-6H2,1H3
InChIKeyWFSPKLMPPGOYFL-UHFFFAOYSA-N
MW362.26 g/mol
LogP2.05
Rot. Bonds7

About 3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride

3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride (PubChem CID 63245877) has the molecular formula C10H13Cl2NO5S2 and a molecular weight of 362.26 g/mol. Its IUPAC name is 3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride
PubChem CID63245877
Molecular FormulaC10H13Cl2NO5S2
Molecular Weight362.26 g/mol
Exact Mass360.96
IUPAC Name3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride
SMILESCCOCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO5S2/c1-2-18-5-6-19(14,15)13-10-4-3-8(7-9(10)11)20(12,16)17/h3-4,7,13H,2,5-6H2,1H3
InChIKeyWFSPKLMPPGOYFL-UHFFFAOYSA-N
XLogP2.05
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride
CID 63245920
N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide
CID 55173525
3-bromo-4-(2-methoxyethylsulfonylamino)benzenesulfonyl chloride
CID 55014257
5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid
CID 55174298
3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide
CID 63290463
4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride
CID 65371525
N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide
CID 64787721
N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide
CID 55173913
N-(2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 60640751
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-ethoxyethanesulfonamide
CID 81281029
N-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide
CID 82016327
N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79593923

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride?
The IUPAC name of 3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride (CID 63245877) is 3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride is CCOCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride?
The InChIKey is WFSPKLMPPGOYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO5S2/c1-2-18-5-6-19(14,15)13-10-4-3-8(7-9(10)11)20(12,16)17/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of 3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride?
3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride has a molecular weight of 362.26 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 63245877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).