methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate

C10H11Cl2NO4S — CID 3874327

IUPACmethyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate
SMILESCOC(=O)CCNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2NO4S/c1-17-10(14)2-3-13-18(15,16)9-5-7(11)4-8(12)6-9/h4-6,13H,2-3H2,1H3
InChIKeyYOTLPPLQBOKANL-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.83
Rot. Bonds5

About methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate

methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate (PubChem CID 3874327) has the molecular formula C10H11Cl2NO4S and a molecular weight of 312.17 g/mol. Its IUPAC name is methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate
PubChem CID3874327
Molecular FormulaC10H11Cl2NO4S
Molecular Weight312.17 g/mol
Exact Mass310.98
IUPAC Namemethyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate
SMILESCOC(=O)CCNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2NO4S/c1-17-10(14)2-3-13-18(15,16)9-5-7(11)4-8(12)6-9/h4-6,13H,2-3H2,1H3
InChIKeyYOTLPPLQBOKANL-UHFFFAOYSA-N
XLogP1.83
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate
CID 43404992
5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 62033065
3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide
CID 61287690
3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039490
methyl 3-[(3-aminophenyl)sulfonylamino]propanoate
CID 43665916
methyl 3-[(2-chloroquinolin-6-yl)sulfonylamino]propanoate
CID 61053588
methyl 3-[(3-amino-4-methoxyphenyl)sulfonylamino]propanoate
CID 43665935
3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 5018847
2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid
CID 43665896
methyl 4-[(2-chloropyrimidin-5-yl)sulfonylamino]butanoate
CID 61249062
methyl 3-[[4-(1-aminoethyl)phenyl]sulfonylamino]propanoate
CID 61295392
methyl 6-[(3,5-difluorophenyl)sulfonylamino]hexanoate
CID 43409144

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate (CID 3874327) is methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate is COC(=O)CCNS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate?
The InChIKey is YOTLPPLQBOKANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO4S/c1-17-10(14)2-3-13-18(15,16)9-5-7(11)4-8(12)6-9/h4-6,13H,2-3H2,1H3.
What are the key properties of methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate?
methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate has a molecular weight of 312.17 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 3874327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).