(3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate

C16H16ClNO5S — CID 16569929

IUPAC(3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)OCc2cccc(OC)c2)ccc1Cl
InChIInChI=1S/C16H16ClNO5S/c1-18-24(20,21)15-9-12(6-7-14(15)17)16(19)23-10-11-4-3-5-13(8-11)22-2/h3-9,18H,10H2,1-2H3
InChIKeyOAXXSPRTVYLMLL-UHFFFAOYSA-N
MW369.83 g/mol
LogP2.61
Rot. Bonds6

About (3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate

(3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate (PubChem CID 16569929) has the molecular formula C16H16ClNO5S and a molecular weight of 369.83 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate
PubChem CID16569929
Molecular FormulaC16H16ClNO5S
Molecular Weight369.83 g/mol
Exact Mass369.04
IUPAC Name(3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)OCc2cccc(OC)c2)ccc1Cl
InChIInChI=1S/C16H16ClNO5S/c1-18-24(20,21)15-9-12(6-7-14(15)17)16(19)23-10-11-4-3-5-13(8-11)22-2/h3-9,18H,10H2,1-2H3
InChIKeyOAXXSPRTVYLMLL-UHFFFAOYSA-N
XLogP2.61
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
(3-fluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974215
(3-methoxyphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 55331142
(3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 16619379
[2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823641
cyanomethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 9331722
phenacyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823753
(3-methoxyphenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 42404752
2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 27027293
4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide
CID 9227450
(3-methoxyphenyl)methyl 3-amino-4-methylbenzoate
CID 60730922
(3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 27010764

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate?
The IUPAC name of (3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate (CID 16569929) is (3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate.
What is the SMILES notation for (3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate?
The canonical SMILES for (3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cc(C(=O)OCc2cccc(OC)c2)ccc1Cl.
What is the InChIKey of (3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate?
The InChIKey is OAXXSPRTVYLMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO5S/c1-18-24(20,21)15-9-12(6-7-14(15)17)16(19)23-10-11-4-3-5-13(8-11)22-2/h3-9,18H,10H2,1-2H3.
What are the key properties of (3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate?
(3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate has a molecular weight of 369.83 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 16569929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).