2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid

C16H17NO5S — CID 718840

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C16H17NO5S/c1-22-14-7-9-15(10-8-14)23(20,21)17(12-16(18)19)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyUFCYEQXQMJKGQB-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.97
Rot. Bonds7

About 2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid

2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid (PubChem CID 718840) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
PubChem CID718840
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C16H17NO5S/c1-22-14-7-9-15(10-8-14)23(20,21)17(12-16(18)19)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyUFCYEQXQMJKGQB-UHFFFAOYSA-N
XLogP1.97
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid
CID 146131927
methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797664
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2128925
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 2878917
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126086784
N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 27001178
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide
CID 55327246
1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide
CID 126014254
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100791083

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid (CID 718840) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid is COc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid?
The InChIKey is UFCYEQXQMJKGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-22-14-7-9-15(10-8-14)23(20,21)17(12-16(18)19)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,19).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid has a molecular weight of 335.38 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 718840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).