2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate

C16H16NO5S- — CID 7286055

IUPAC2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate
SMILESCOc1ccc(C)c(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c1
InChIInChI=1S/C16H17NO5S/c1-11-3-8-14(22-2)10-15(11)23(20,21)17-13-6-4-12(5-7-13)9-16(18)19/h3-8,10,17H,9H2,1-2H3,(H,18,19)/p-1
InChIKeyIPUHZZJMSDYZCP-UHFFFAOYSA-M
MW334.37 g/mol
LogP1.10
Rot. Bonds6

About 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate

2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate (PubChem CID 7286055) has the molecular formula C16H16NO5S- and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate.

Molecular Properties

Compound Name2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate
PubChem CID7286055
Molecular FormulaC16H16NO5S-
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate
SMILESCOc1ccc(C)c(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c1
InChIInChI=1S/C16H17NO5S/c1-11-3-8-14(22-2)10-15(11)23(20,21)17-13-6-4-12(5-7-13)9-16(18)19/h3-8,10,17H,9H2,1-2H3,(H,18,19)/p-1
InChIKeyIPUHZZJMSDYZCP-UHFFFAOYSA-M
XLogP1.10
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 28717561
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid
CID 166229174
2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497
3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 8822569
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 51157569
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 2373077
2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 35155544
[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea
CID 47062796
N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide
CID 112983681
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate?
The IUPAC name of 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate (CID 7286055) is 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate.
What is the SMILES notation for 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate?
The canonical SMILES for 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate is COc1ccc(C)c(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c1.
What is the InChIKey of 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate?
The InChIKey is IPUHZZJMSDYZCP-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H17NO5S/c1-11-3-8-14(22-2)10-15(11)23(20,21)17-13-6-4-12(5-7-13)9-16(18)19/h3-8,10,17H,9H2,1-2H3,(H,18,19)/p-1.
What are the key properties of 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate?
2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate has a molecular weight of 334.37 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate is sourced from PubChem (CID 7286055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).