methyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate

C16H21N3O6S — CID 22774347

IUPACmethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate
SMILESCCn1ncc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c1C
InChIInChI=1S/C16H21N3O6S/c1-6-19-10(2)15(9-17-19)26(21,22)18-12-8-14(24-4)13(23-3)7-11(12)16(20)25-5/h7-9,18H,6H2,1-5H3
InChIKeySXVVSVHTDSZZML-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.82
Rot. Bonds7

About methyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate

methyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate (PubChem CID 22774347) has the molecular formula C16H21N3O6S and a molecular weight of 383.43 g/mol. Its IUPAC name is methyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate
PubChem CID22774347
Molecular FormulaC16H21N3O6S
Molecular Weight383.43 g/mol
Exact Mass383.12
IUPAC Namemethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate
SMILESCCn1ncc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c1C
InChIInChI=1S/C16H21N3O6S/c1-6-19-10(2)15(9-17-19)26(21,22)18-12-8-14(24-4)13(23-3)7-11(12)16(20)25-5/h7-9,18H,6H2,1-5H3
InChIKeySXVVSVHTDSZZML-UHFFFAOYSA-N
XLogP1.82
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate
CID 35508855
methyl 2-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 7941100
methyl 2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 3459990
1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide
CID 22202841
methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 2480010
N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22203281
methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate
CID 100508887
methyl 2-[(4-iodophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 3486727
dimethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26949768
1-ethyl-5-methyl-N-(2-methyl-4-nitrophenyl)pyrazole-4-sulfonamide
CID 22774298
methyl 4,5-dimethoxy-2-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoate
CID 4824340
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19584255

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate (CID 22774347) is methyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate is CCn1ncc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c1C.
What is the InChIKey of methyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate?
The InChIKey is SXVVSVHTDSZZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6S/c1-6-19-10(2)15(9-17-19)26(21,22)18-12-8-14(24-4)13(23-3)7-11(12)16(20)25-5/h7-9,18H,6H2,1-5H3.
What are the key properties of methyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate?
methyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate has a molecular weight of 383.43 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 22774347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).