5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride

C13H15ClFNO4S — CID 65370368

IUPAC5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
SMILESCOc1c(F)cc(C(=O)NC(C)C2CC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H15ClFNO4S/c1-7(8-3-4-8)16-13(17)9-5-10(15)12(20-2)11(6-9)21(14,18)19/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyHRAULJFMSLOPRR-UHFFFAOYSA-N
MW335.78 g/mol
LogP2.29
Rot. Bonds5

About 5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride

5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride (PubChem CID 65370368) has the molecular formula C13H15ClFNO4S and a molecular weight of 335.78 g/mol. Its IUPAC name is 5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
PubChem CID65370368
Molecular FormulaC13H15ClFNO4S
Molecular Weight335.78 g/mol
Exact Mass335.04
IUPAC Name5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
SMILESCOc1c(F)cc(C(=O)NC(C)C2CC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H15ClFNO4S/c1-7(8-3-4-8)16-13(17)9-5-10(15)12(20-2)11(6-9)21(14,18)19/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyHRAULJFMSLOPRR-UHFFFAOYSA-N
XLogP2.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65373055
3-fluoro-2-methoxy-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65372773
5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65396118
3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide
CID 134040755
3-bromo-5-(1-cyclopropylethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 81488328
5-(2,2-difluoroethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
CID 115408885
2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
CID 65370751
3-fluoro-2-methoxy-5-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 80716247
5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
CID 65372377
3-bromo-2-methoxy-5-(3-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370671
N-(1-cyclohexylethyl)-3,4,5-trifluorobenzamide
CID 63189611
2-bromo-3-(1-cyclopropylethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65370561

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride (CID 65370368) is 5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride is COc1c(F)cc(C(=O)NC(C)C2CC2)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride?
The InChIKey is HRAULJFMSLOPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO4S/c1-7(8-3-4-8)16-13(17)9-5-10(15)12(20-2)11(6-9)21(14,18)19/h5-8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride?
5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride has a molecular weight of 335.78 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 65370368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).