(2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate

C16H14ClF2NO4S — CID 33147731

IUPAC(2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)OCc1ccccc1Cl
InChIInChI=1S/C16H14ClF2NO4S/c17-13-4-2-1-3-11(13)10-24-16(21)7-8-20-25(22,23)12-5-6-14(18)15(19)9-12/h1-6,9,20H,7-8,10H2
InChIKeyXSGGRYZSIZKGNS-UHFFFAOYSA-N
MW389.81 g/mol
LogP3.03
Rot. Bonds7

About (2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate

(2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate (PubChem CID 33147731) has the molecular formula C16H14ClF2NO4S and a molecular weight of 389.81 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
PubChem CID33147731
Molecular FormulaC16H14ClF2NO4S
Molecular Weight389.81 g/mol
Exact Mass389.03
IUPAC Name(2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)OCc1ccccc1Cl
InChIInChI=1S/C16H14ClF2NO4S/c17-13-4-2-1-3-11(13)10-24-16(21)7-8-20-25(22,23)12-5-6-14(18)15(19)9-12/h1-6,9,20H,7-8,10H2
InChIKeyXSGGRYZSIZKGNS-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
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 24686770
(3-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 7806807
(2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 8574868
(2,6-dichlorophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 7234432
(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913012
(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982280
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 33147743
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 24547426
(2,6-dichlorophenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 2382756
(2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate
CID 1218599
(2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 7569153

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate?
The IUPAC name of (2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate (CID 33147731) is (2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for (2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for (2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate is O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate?
The InChIKey is XSGGRYZSIZKGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO4S/c17-13-4-2-1-3-11(13)10-24-16(21)7-8-20-25(22,23)12-5-6-14(18)15(19)9-12/h1-6,9,20H,7-8,10H2.
What are the key properties of (2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate?
(2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)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-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 33147731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).