2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride

C11H14ClNO4S — CID 65368631

IUPAC2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride
SMILESCCCNC(=O)c1ccc(OC)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H14ClNO4S/c1-3-6-13-11(14)8-4-5-9(17-2)10(7-8)18(12,15)16/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyZCXNRIYXLGAFJO-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.76
Rot. Bonds5

About 2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride

2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65368631) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride
PubChem CID65368631
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride
SMILESCCCNC(=O)c1ccc(OC)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H14ClNO4S/c1-3-6-13-11(14)8-4-5-9(17-2)10(7-8)18(12,15)16/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyZCXNRIYXLGAFJO-UHFFFAOYSA-N
XLogP1.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65397075
2-methoxy-5-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65367764
2-methoxy-5-(pentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368816
5-(2,3-dimethylbutylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65398816
2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65397770
3-tert-butyl-4-methoxy-N-propylbenzamide
CID 110761278
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384
3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 45373616
2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride
CID 65368607
5-[2-(butylamino)-2-oxoethyl]-2-methoxybenzenesulfonyl chloride
CID 65367934
5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65366957
3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide
CID 35812177

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride (CID 65368631) is 2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride is CCCNC(=O)c1ccc(OC)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is ZCXNRIYXLGAFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-3-6-13-11(14)8-4-5-9(17-2)10(7-8)18(12,15)16/h4-5,7H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride?
2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 291.76 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65368631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).