(2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate

C16H15ClFNO4S — CID 8574868

IUPAC(2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate
SMILESO=C(CCNS(=O)(=O)c1ccccc1)OCc1c(F)cccc1Cl
InChIInChI=1S/C16H15ClFNO4S/c17-14-7-4-8-15(18)13(14)11-23-16(20)9-10-19-24(21,22)12-5-2-1-3-6-12/h1-8,19H,9-11H2
InChIKeyWEFCKKXGZYVBDE-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.89
Rot. Bonds7

About (2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate

(2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate (PubChem CID 8574868) has the molecular formula C16H15ClFNO4S and a molecular weight of 371.82 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate
PubChem CID8574868
Molecular FormulaC16H15ClFNO4S
Molecular Weight371.82 g/mol
Exact Mass371.04
IUPAC Name(2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate
SMILESO=C(CCNS(=O)(=O)c1ccccc1)OCc1c(F)cccc1Cl
InChIInChI=1S/C16H15ClFNO4S/c17-14-7-4-8-15(18)13(14)11-23-16(20)9-10-19-24(21,22)12-5-2-1-3-6-12/h1-8,19H,9-11H2
InChIKeyWEFCKKXGZYVBDE-UHFFFAOYSA-N
XLogP2.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913012
(2,6-dichlorophenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 2382756
(2,6-dichlorophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 7234432
(2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 7806814
(2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 33147731
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 2174897
(4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913084
(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982280
(3-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 7806807
(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate
CID 954138
[2-(4-chloroanilino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 8574931
(2-chloro-6-fluorophenyl)methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 7973883

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate (CID 8574868) is (2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate is O=C(CCNS(=O)(=O)c1ccccc1)OCc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate?
The InChIKey is WEFCKKXGZYVBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO4S/c17-14-7-4-8-15(18)13(14)11-23-16(20)9-10-19-24(21,22)12-5-2-1-3-6-12/h1-8,19H,9-11H2.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate?
(2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate has a molecular weight of 371.82 g/mol, XLogP of 2.89, 7 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 3-(benzenesulfonamido)propanoate is sourced from PubChem (CID 8574868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).