methyl 3-(ethylsulfonylamino)-4-methylbenzoate

C11H15NO4S — CID 6466185

IUPACmethyl 3-(ethylsulfonylamino)-4-methylbenzoate
SMILESCCS(=O)(=O)Nc1cc(C(=O)OC)ccc1C
InChIInChI=1S/C11H15NO4S/c1-4-17(14,15)12-10-7-9(11(13)16-3)6-5-8(10)2/h5-7,12H,4H2,1-3H3
InChIKeyTYJNFRQIHFWGNO-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.54
Rot. Bonds4

About methyl 3-(ethylsulfonylamino)-4-methylbenzoate

methyl 3-(ethylsulfonylamino)-4-methylbenzoate (PubChem CID 6466185) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl 3-(ethylsulfonylamino)-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-(ethylsulfonylamino)-4-methylbenzoate
PubChem CID6466185
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Namemethyl 3-(ethylsulfonylamino)-4-methylbenzoate
SMILESCCS(=O)(=O)Nc1cc(C(=O)OC)ccc1C
InChIInChI=1S/C11H15NO4S/c1-4-17(14,15)12-10-7-9(11(13)16-3)6-5-8(10)2/h5-7,12H,4H2,1-3H3
InChIKeyTYJNFRQIHFWGNO-UHFFFAOYSA-N
XLogP1.54
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-chloropropylsulfonylamino)-4-methylbenzoate
CID 43654298
methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate
CID 807062
methyl 3-(ethoxycarbonylamino)-4-methylbenzoate
CID 3309818
methyl 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 7938266
methyl 3-[(2,6-difluorophenyl)sulfonylamino]-4-methylbenzoate
CID 2648322
methyl 4-methyl-3-[(4-pentylphenyl)sulfonylamino]benzoate
CID 3759462
N-(2,5-dimethylphenyl)ethanesulfonamide
CID 902936
methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate
CID 2673338
methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 99816310
methyl 3-[(5-bromothiophen-2-yl)sulfonylamino]-4-methylbenzoate
CID 1006764

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethylsulfonylamino)-4-methylbenzoate?
The IUPAC name of methyl 3-(ethylsulfonylamino)-4-methylbenzoate (CID 6466185) is methyl 3-(ethylsulfonylamino)-4-methylbenzoate.
What is the SMILES notation for methyl 3-(ethylsulfonylamino)-4-methylbenzoate?
The canonical SMILES for methyl 3-(ethylsulfonylamino)-4-methylbenzoate is CCS(=O)(=O)Nc1cc(C(=O)OC)ccc1C.
What is the InChIKey of methyl 3-(ethylsulfonylamino)-4-methylbenzoate?
The InChIKey is TYJNFRQIHFWGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-4-17(14,15)12-10-7-9(11(13)16-3)6-5-8(10)2/h5-7,12H,4H2,1-3H3.
What are the key properties of methyl 3-(ethylsulfonylamino)-4-methylbenzoate?
methyl 3-(ethylsulfonylamino)-4-methylbenzoate has a molecular weight of 257.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylsulfonylamino)-4-methylbenzoate is sourced from PubChem (CID 6466185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).