3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride

C12H15Cl2NO4S — CID 65396840

IUPAC3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride
SMILESCOCCCN(C)C(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H15Cl2NO4S/c1-15(4-3-5-19-2)12(16)9-6-10(13)8-11(7-9)20(14,17)18/h6-8H,3-5H2,1-2H3
InChIKeyLWPIQELFJUWWSX-UHFFFAOYSA-N
MW340.23 g/mol
LogP2.38
Rot. Bonds6

About 3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride

3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65396840) has the molecular formula C12H15Cl2NO4S and a molecular weight of 340.23 g/mol. Its IUPAC name is 3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65396840
Molecular FormulaC12H15Cl2NO4S
Molecular Weight340.23 g/mol
Exact Mass339.01
IUPAC Name3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride
SMILESCOCCCN(C)C(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H15Cl2NO4S/c1-15(4-3-5-19-2)12(16)9-6-10(13)8-11(7-9)20(14,17)18/h6-8H,3-5H2,1-2H3
InChIKeyLWPIQELFJUWWSX-UHFFFAOYSA-N
XLogP2.38
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2-methoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 65388976
3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65396460
3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 107100667
5-[3-methoxypropyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366837
3-fluoro-5-[3-methoxypropyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65397034
3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide
CID 65387897
N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide
CID 106441473
3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368353
3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride
CID 65372783
3-[2-ethoxyethyl(methyl)carbamoyl]-5-fluorobenzenesulfonyl chloride
CID 81074339
3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387830
5-[3-methoxypropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 65398763

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride (CID 65396840) is 3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride is COCCCN(C)C(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is LWPIQELFJUWWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO4S/c1-15(4-3-5-19-2)12(16)9-6-10(13)8-11(7-9)20(14,17)18/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride?
3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 340.23 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65396840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).