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

C11H13Cl2NO4S — CID 65371525

IUPAC4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride
SMILESCCOCCNC(=O)c1cc(S(=O)(=O)Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO4S/c1-2-18-6-5-14-11(15)9-7-8(19(13,16)17)3-4-10(9)12/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyKVBFMHMRKFHQTH-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.03
Rot. Bonds6

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

4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65371525) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride
PubChem CID65371525
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride
SMILESCCOCCNC(=O)c1cc(S(=O)(=O)Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO4S/c1-2-18-6-5-14-11(15)9-7-8(19(13,16)17)3-4-10(9)12/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyKVBFMHMRKFHQTH-UHFFFAOYSA-N
XLogP2.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl 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

4-chloro-3-(2-propan-2-yloxyethylcarbamoyl)benzenesulfonyl chloride
CID 104766605
2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide
CID 51165018
4-chloro-3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65368010
2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 47101010
2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969395
3-(2-but-3-enoxyethylcarbamoyl)-4-methylbenzenesulfonyl chloride
CID 106398501
2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide
CID 65388369
2,4,5-trichloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride
CID 65370372
2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide
CID 104600938
4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride
CID 65371129
3-(2-ethoxyethylcarbamoyl)-5-(methoxymethyl)benzenesulfonyl chloride
CID 65370563
4-(2-but-3-enoxyethylcarbamoyl)-3-methylbenzenesulfonyl chloride
CID 106398497

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride (CID 65371525) is 4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride is CCOCCNC(=O)c1cc(S(=O)(=O)Cl)ccc1Cl.
What is the InChIKey of 4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is KVBFMHMRKFHQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-2-18-6-5-14-11(15)9-7-8(19(13,16)17)3-4-10(9)12/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride?
4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 326.20 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65371525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).