methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate

C17H18N2O5S — CID 1290039

IUPACmethyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C
InChIInChI=1S/C17H18N2O5S/c1-11-15(17(21)24-3)5-4-6-16(11)19-25(22,23)14-9-7-13(8-10-14)18-12(2)20/h4-10,19H,1-3H3,(H,18,20)
InChIKeySQJRGOKRPIEFTO-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.54
Rot. Bonds5

About methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate

methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate (PubChem CID 1290039) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate
PubChem CID1290039
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Namemethyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C
InChIInChI=1S/C17H18N2O5S/c1-11-15(17(21)24-3)5-4-6-16(11)19-25(22,23)14-9-7-13(8-10-14)18-12(2)20/h4-10,19H,1-3H3,(H,18,20)
InChIKeySQJRGOKRPIEFTO-UHFFFAOYSA-N
XLogP2.54
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzoate
CID 894262
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517
methyl 3-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]-2-methylbenzoate
CID 100538749
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
2-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 7040069
1-[(4-acetamidophenyl)sulfonylamino]-2-(sulfinoamino)oxycarbonylbenzene
CID 123662149
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173
N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide
CID 91114116
N-[4-[(2-methoxy-4,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 110776847
methyl 2-[4-[(4-methylphenyl)sulfonylamino]anilino]benzoate
CID 112988470
methyl 2-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423372
methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate
CID 35540100

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate?
The IUPAC name of methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate (CID 1290039) is methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate is COC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C.
What is the InChIKey of methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate?
The InChIKey is SQJRGOKRPIEFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-11-15(17(21)24-3)5-4-6-16(11)19-25(22,23)14-9-7-13(8-10-14)18-12(2)20/h4-10,19H,1-3H3,(H,18,20).
What are the key properties of methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate?
methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate has a molecular weight of 362.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate is sourced from PubChem (CID 1290039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).