(2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate

C16H14ClF2NO4S — CID 7806814

IUPAC(2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(Cl)c1)OCc1ccccc1F
InChIInChI=1S/C16H14ClF2NO4S/c17-13-9-12(5-6-15(13)19)25(22,23)20-8-7-16(21)24-10-11-3-1-2-4-14(11)18/h1-6,9,20H,7-8,10H2
InChIKeyYOUJZUCXLXNRPK-UHFFFAOYSA-N
MW389.81 g/mol
LogP3.03
Rot. Bonds7

About (2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate

(2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate (PubChem CID 7806814) has the molecular formula C16H14ClF2NO4S and a molecular weight of 389.81 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
PubChem CID7806814
Molecular FormulaC16H14ClF2NO4S
Molecular Weight389.81 g/mol
Exact Mass389.03
IUPAC Name(2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(Cl)c1)OCc1ccccc1F
InChIInChI=1S/C16H14ClF2NO4S/c17-13-9-12(5-6-15(13)19)25(22,23)20-8-7-16(21)24-10-11-3-1-2-4-14(11)18/h1-6,9,20H,7-8,10H2
InChIKeyYOUJZUCXLXNRPK-UHFFFAOYSA-N
XLogP3.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 33147731
(3-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 7806807
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 7414322
3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoic acid
CID 697756
(2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 8574868
(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913012
(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982280
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
(2,6-dichlorophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 7234432
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 24686770
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 8643100
(2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 7569153

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of (2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate (CID 7806814) is (2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for (2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for (2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate is O=C(CCNS(=O)(=O)c1ccc(F)c(Cl)c1)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is YOUJZUCXLXNRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO4S/c17-13-9-12(5-6-15(13)19)25(22,23)20-8-7-16(21)24-10-11-3-1-2-4-14(11)18/h1-6,9,20H,7-8,10H2.
What are the key properties of (2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate?
(2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate has a molecular weight of 389.81 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 7806814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).