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

C16H15ClFNO4S — CID 42982280

IUPAC(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)OCc1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO4S/c17-13-2-1-3-15(10-13)24(21,22)19-9-8-16(20)23-11-12-4-6-14(18)7-5-12/h1-7,10,19H,8-9,11H2
InChIKeyNLIMMVDBASCCMV-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.89
Rot. Bonds7

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

(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate (PubChem CID 42982280) has the molecular formula C16H15ClFNO4S and a molecular weight of 371.82 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
PubChem CID42982280
Molecular FormulaC16H15ClFNO4S
Molecular Weight371.82 g/mol
Exact Mass371.04
IUPAC Name(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)OCc1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO4S/c17-13-2-1-3-15(10-13)24(21,22)19-9-8-16(20)23-11-12-4-6-14(18)7-5-12/h1-7,10,19H,8-9,11H2
InChIKeyNLIMMVDBASCCMV-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-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982279
(4-fluorophenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 42965943
(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913012
(3-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 7806807
3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 51162789
(4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913084
(4-methylsulfanylphenyl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738966
(5-acetyl-2-methoxyphenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035641
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035928
(4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate
CID 7725647
(2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 33147731
(2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 7806814

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of (4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate (CID 42982280) is (4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for (4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for (4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate is O=C(CCNS(=O)(=O)c1cccc(Cl)c1)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is NLIMMVDBASCCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO4S/c17-13-2-1-3-15(10-13)24(21,22)19-9-8-16(20)23-11-12-4-6-14(18)7-5-12/h1-7,10,19H,8-9,11H2.
What are the key properties of (4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate?
(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]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 (4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 42982280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).