methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate

C16H16ClNO5S — CID 27014139

IUPACmethyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H16ClNO5S/c1-22-14-6-8-15(9-7-14)24(20,21)18(11-16(19)23-2)13-5-3-4-12(17)10-13/h3-10H,11H2,1-2H3
InChIKeyHNNSODMBIJFWFN-UHFFFAOYSA-N
MW369.83 g/mol
LogP2.72
Rot. Bonds6

About methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate

methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate (PubChem CID 27014139) has the molecular formula C16H16ClNO5S and a molecular weight of 369.83 g/mol. Its IUPAC name is methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
PubChem CID27014139
Molecular FormulaC16H16ClNO5S
Molecular Weight369.83 g/mol
Exact Mass369.04
IUPAC Namemethyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H16ClNO5S/c1-22-14-6-8-15(9-7-14)24(20,21)18(11-16(19)23-2)13-5-3-4-12(17)10-13/h3-10H,11H2,1-2H3
InChIKeyHNNSODMBIJFWFN-UHFFFAOYSA-N
XLogP2.72
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280450
methyl 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100510847
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126126072
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133249804
N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1318370
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 126179354
N-(4-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126121109
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide
CID 126118023
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 126180592
methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891507
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-phenylethyl)acetamide
CID 126134625
N-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126149220

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate?
The IUPAC name of methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate (CID 27014139) is methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate.
What is the SMILES notation for methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate?
The canonical SMILES for methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate is COC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate?
The InChIKey is HNNSODMBIJFWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO5S/c1-22-14-6-8-15(9-7-14)24(20,21)18(11-16(19)23-2)13-5-3-4-12(17)10-13/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate?
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate has a molecular weight of 369.83 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate is sourced from PubChem (CID 27014139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).