methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate

C17H19NO5S — CID 31760778

IUPACmethyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2OC)c1
InChIInChI=1S/C17H19NO5S/c1-12(15-9-4-5-10-16(15)22-2)18-24(20,21)14-8-6-7-13(11-14)17(19)23-3/h4-12,18H,1-3H3/t12-/m0/s1
InChIKeyNBSSQQIQXZGSDE-LBPRGKRZSA-N
MW349.41 g/mol
LogP2.52
Rot. Bonds6

About methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate

methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate (PubChem CID 31760778) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate
PubChem CID31760778
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Namemethyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2OC)c1
InChIInChI=1S/C17H19NO5S/c1-12(15-9-4-5-10-16(15)22-2)18-24(20,21)14-8-6-7-13(11-14)17(19)23-3/h4-12,18H,1-3H3/t12-/m0/s1
InChIKeyNBSSQQIQXZGSDE-LBPRGKRZSA-N
XLogP2.52
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate
CID 51335463
methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate
CID 31761098
methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate
CID 100763986
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
N-[(1S)-1-(2-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 2496333
methyl 3-[[(1S)-1-(2-methylphenyl)propyl]sulfamoyl]benzoate
CID 100538266
methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 133228972
3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133219535
3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169549
methyl 4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]sulfamoyl]benzoate
CID 26530406
sodium methyl 3-[(3-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoate
CID 21124986
4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate?
The IUPAC name of methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate (CID 31760778) is methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2OC)c1.
What is the InChIKey of methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate?
The InChIKey is NBSSQQIQXZGSDE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-12(15-9-4-5-10-16(15)22-2)18-24(20,21)14-8-6-7-13(11-14)17(19)23-3/h4-12,18H,1-3H3/t12-/m0/s1.
What are the key properties of methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate?
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate has a molecular weight of 349.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate is sourced from PubChem (CID 31760778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).