5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride

C10H11ClFNO4S — CID 65372377

IUPAC5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
SMILESCOc1c(F)cc(C(=O)N(C)C)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClFNO4S/c1-13(2)10(14)6-4-7(12)9(17-3)8(5-6)18(11,15)16/h4-5H,1-3H3
InChIKeyVIRBJTDECJJUDE-UHFFFAOYSA-N
MW295.72 g/mol
LogP1.46
Rot. Bonds3

About 5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride

5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride (PubChem CID 65372377) has the molecular formula C10H11ClFNO4S and a molecular weight of 295.72 g/mol. Its IUPAC name is 5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
PubChem CID65372377
Molecular FormulaC10H11ClFNO4S
Molecular Weight295.72 g/mol
Exact Mass295.01
IUPAC Name5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
SMILESCOc1c(F)cc(C(=O)N(C)C)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClFNO4S/c1-13(2)10(14)6-4-7(12)9(17-3)8(5-6)18(11,15)16/h4-5H,1-3H3
InChIKeyVIRBJTDECJJUDE-UHFFFAOYSA-N
XLogP1.46
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65371862
ethyl 3-chlorosulfonyl-5-fluoro-4-methoxybenzoate
CID 43381750
5-(2,2-difluoroethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
CID 115408885
3-fluoro-2-methoxy-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65372773
1-methoxypropan-2-yl 3-chlorosulfonyl-5-fluoro-4-methoxybenzoate
CID 65374159
pentan-2-yl 3-chlorosulfonyl-5-fluoro-4-methoxybenzoate
CID 102988385
5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
CID 65370368
N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide
CID 65388145
4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 79770004
3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65370842
3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride
CID 84711718
3-fluoro-5-formyl-2-methoxybenzenesulfonyl chloride
CID 171009670

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride (CID 65372377) is 5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride is COc1c(F)cc(C(=O)N(C)C)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride?
The InChIKey is VIRBJTDECJJUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO4S/c1-13(2)10(14)6-4-7(12)9(17-3)8(5-6)18(11,15)16/h4-5H,1-3H3.
What are the key properties of 5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride?
5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride has a molecular weight of 295.72 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 65372377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).