(2-chloro-6-fluorophenyl)methyl 4-sulfamoylbenzoate

C14H11ClFNO4S — CID 2995767

IUPAC(2-chloro-6-fluorophenyl)methyl 4-sulfamoylbenzoate
SMILESNS(=O)(=O)c1ccc(C(=O)OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C14H11ClFNO4S/c15-12-2-1-3-13(16)11(12)8-21-14(18)9-4-6-10(7-5-9)22(17,19)20/h1-7H,8H2,(H2,17,19,20)
InChIKeyMWDQFSYIZJBKOP-UHFFFAOYSA-N
MW343.76 g/mol
LogP2.48
Rot. Bonds4

About (2-chloro-6-fluorophenyl)methyl 4-sulfamoylbenzoate

(2-chloro-6-fluorophenyl)methyl 4-sulfamoylbenzoate (PubChem CID 2995767) has the molecular formula C14H11ClFNO4S and a molecular weight of 343.76 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 4-sulfamoylbenzoate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 4-sulfamoylbenzoate
PubChem CID2995767
Molecular FormulaC14H11ClFNO4S
Molecular Weight343.76 g/mol
Exact Mass343.01
IUPAC Name(2-chloro-6-fluorophenyl)methyl 4-sulfamoylbenzoate
SMILESNS(=O)(=O)c1ccc(C(=O)OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C14H11ClFNO4S/c15-12-2-1-3-13(16)11(12)8-21-14(18)9-4-6-10(7-5-9)22(17,19)20/h1-7H,8H2,(H2,17,19,20)
InChIKeyMWDQFSYIZJBKOP-UHFFFAOYSA-N
XLogP2.48
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10834502
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CID 24671730
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CID 44405764
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CID 44405775
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CID 44405778
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CID 44416168
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CID 23274400
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CID 16921
CID 16921

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 4-sulfamoylbenzoate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 4-sulfamoylbenzoate (CID 2995767) is (2-chloro-6-fluorophenyl)methyl 4-sulfamoylbenzoate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 4-sulfamoylbenzoate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 4-sulfamoylbenzoate is NS(=O)(=O)c1ccc(C(=O)OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 4-sulfamoylbenzoate?
The InChIKey is MWDQFSYIZJBKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4S/c15-12-2-1-3-13(16)11(12)8-21-14(18)9-4-6-10(7-5-9)22(17,19)20/h1-7H,8H2,(H2,17,19,20).
What are the key properties of (2-chloro-6-fluorophenyl)methyl 4-sulfamoylbenzoate?
(2-chloro-6-fluorophenyl)methyl 4-sulfamoylbenzoate has a molecular weight of 343.76 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 4-sulfamoylbenzoate is sourced from PubChem (CID 2995767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).