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

C16H14ClF2NO4S — CID 7806807

IUPAC(3-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(Cl)c1)OCc1cccc(F)c1
InChIInChI=1S/C16H14ClF2NO4S/c17-14-9-13(4-5-15(14)19)25(22,23)20-7-6-16(21)24-10-11-2-1-3-12(18)8-11/h1-5,8-9,20H,6-7,10H2
InChIKeyHKARKXUDISFVIC-UHFFFAOYSA-N
MW389.81 g/mol
LogP3.03
Rot. Bonds7

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

(3-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate (PubChem CID 7806807) has the molecular formula C16H14ClF2NO4S and a molecular weight of 389.81 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
PubChem CID7806807
Molecular FormulaC16H14ClF2NO4S
Molecular Weight389.81 g/mol
Exact Mass389.03
IUPAC Name(3-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(Cl)c1)OCc1cccc(F)c1
InChIInChI=1S/C16H14ClF2NO4S/c17-14-9-13(4-5-15(14)19)25(22,23)20-7-6-16(21)24-10-11-2-1-3-12(18)8-11/h1-5,8-9,20H,6-7,10H2
InChIKeyHKARKXUDISFVIC-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-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 7806814
(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982280
(2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 33147731
3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoic acid
CID 697756
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 7414322
(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913012
(4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982279
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
(2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 8574868
(2,6-dichlorophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 7234432
(4-methylsulfanylphenyl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738966
(4-fluorophenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 42965943

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of (3-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate (CID 7806807) is (3-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for (3-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for (3-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate is O=C(CCNS(=O)(=O)c1ccc(F)c(Cl)c1)OCc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is HKARKXUDISFVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO4S/c17-14-9-13(4-5-15(14)19)25(22,23)20-7-6-16(21)24-10-11-2-1-3-12(18)8-11/h1-5,8-9,20H,6-7,10H2.
What are the key properties of (3-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate?
(3-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 (3-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 7806807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).