5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride

C12H15Cl2NO5S — CID 65367857

IUPAC5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
SMILESCOCCCNC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1OC
InChIInChI=1S/C12H15Cl2NO5S/c1-19-5-3-4-15-12(16)9-6-8(13)7-10(11(9)20-2)21(14,17)18/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyRVTUKYVPDQMLKH-UHFFFAOYSA-N
MW356.23 g/mol
LogP2.04
Rot. Bonds7

About 5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride

5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65367857) has the molecular formula C12H15Cl2NO5S and a molecular weight of 356.23 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
PubChem CID65367857
Molecular FormulaC12H15Cl2NO5S
Molecular Weight356.23 g/mol
Exact Mass355.00
IUPAC Name5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
SMILESCOCCCNC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1OC
InChIInChI=1S/C12H15Cl2NO5S/c1-19-5-3-4-15-12(16)9-6-8(13)7-10(11(9)20-2)21(14,17)18/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyRVTUKYVPDQMLKH-UHFFFAOYSA-N
XLogP2.04
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 52.04
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

5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide
CID 65375386
5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide
CID 114267192
5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368556
4-bromo-2-fluoro-5-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65368260
4-fluoro-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65367662
2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
CID 60636009
2,3-dichloro-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride
CID 65397171
5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide
CID 115408938
2-bromo-5-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65368304
4-chloro-2-hydroxy-N-(3-methoxypropyl)benzamide
CID 43090061
methyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 43436756
2-(methoxymethyl)-5-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65367566

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride (CID 65367857) is 5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride is COCCCNC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1OC.
What is the InChIKey of 5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is RVTUKYVPDQMLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO5S/c1-19-5-3-4-15-12(16)9-6-8(13)7-10(11(9)20-2)21(14,17)18/h6-7H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride?
5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 356.23 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65367857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).