methyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate

C18H20ClNO6S — CID 133261859

IUPACmethyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate
SMILESCOC(=O)c1cc(S(=O)(=O)NC(C)COc2ccccc2OC)ccc1Cl
InChIInChI=1S/C18H20ClNO6S/c1-12(11-26-17-7-5-4-6-16(17)24-2)20-27(22,23)13-8-9-15(19)14(10-13)18(21)25-3/h4-10,12,20H,11H2,1-3H3
InChIKeyQICHNYFJJFFOHT-UHFFFAOYSA-N
MW413.88 g/mol
LogP2.88
Rot. Bonds8

About methyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate

methyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate (PubChem CID 133261859) has the molecular formula C18H20ClNO6S and a molecular weight of 413.88 g/mol. Its IUPAC name is methyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate
PubChem CID133261859
Molecular FormulaC18H20ClNO6S
Molecular Weight413.88 g/mol
Exact Mass413.07
IUPAC Namemethyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate
SMILESCOC(=O)c1cc(S(=O)(=O)NC(C)COc2ccccc2OC)ccc1Cl
InChIInChI=1S/C18H20ClNO6S/c1-12(11-26-17-7-5-4-6-16(17)24-2)20-27(22,23)13-8-9-15(19)14(10-13)18(21)25-3/h4-10,12,20H,11H2,1-3H3
InChIKeyQICHNYFJJFFOHT-UHFFFAOYSA-N
XLogP2.88
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.88
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide
CID 56921687
3-[(2-chlorophenyl)methyl]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100756889
methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate
CID 100763986
methyl 2-chloro-5-(phenylsulfamoyl)benzoate
CID 99702882
6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 100759720
methyl 2-chloro-5-[[1-(4-methoxyphenyl)-3-methylbutyl]sulfamoyl]benzoate
CID 133185100
methyl 2-chloro-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 100657490
3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide
CID 4995794
2-chloro-N-[2-(2-methoxyphenoxy)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46558858
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 100667509
2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid
CID 43372088
2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 2439942

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate?
The IUPAC name of methyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate (CID 133261859) is methyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate?
The canonical SMILES for methyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate is COC(=O)c1cc(S(=O)(=O)NC(C)COc2ccccc2OC)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate?
The InChIKey is QICHNYFJJFFOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO6S/c1-12(11-26-17-7-5-4-6-16(17)24-2)20-27(22,23)13-8-9-15(19)14(10-13)18(21)25-3/h4-10,12,20H,11H2,1-3H3.
What are the key properties of methyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate?
methyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate has a molecular weight of 413.88 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate is sourced from PubChem (CID 133261859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).