2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid

C11H10N2O6S — CID 63646594

IUPAC2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid
SMILESN#Cc1ccccc1S(=O)(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H10N2O6S/c12-5-8-3-1-2-4-9(8)20(18,19)13(6-10(14)15)7-11(16)17/h1-4H,6-7H2,(H,14,15)(H,16,17)
InChIKeyUAPUQSLVPSZUOQ-UHFFFAOYSA-N
MW298.28 g/mol
LogP-0.28
Rot. Bonds6

About 2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid

2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid (PubChem CID 63646594) has the molecular formula C11H10N2O6S and a molecular weight of 298.28 g/mol. Its IUPAC name is 2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid
PubChem CID63646594
Molecular FormulaC11H10N2O6S
Molecular Weight298.28 g/mol
Exact Mass298.03
IUPAC Name2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid
SMILESN#Cc1ccccc1S(=O)(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H10N2O6S/c12-5-8-3-1-2-4-9(8)20(18,19)13(6-10(14)15)7-11(16)17/h1-4H,6-7H2,(H,14,15)(H,16,17)
InChIKeyUAPUQSLVPSZUOQ-UHFFFAOYSA-N
XLogP-0.28
TPSA135.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[carboxymethyl-(2,3-dicyanophenyl)sulfonylamino]acetic acid
CID 70804963
2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356240
2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801780
2-cyano-N-methyl-N-phenylbenzenesulfonamide
CID 24701852
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60961531
ethyl 2-[(2-cyanophenyl)sulfonyl-methylamino]acetate
CID 54943099
2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61384582
2-(2-cyanophenyl)sulfonylbenzonitrile
CID 18934243
2-cyano-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
CID 3431628
N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide
CID 43273076
N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide
CID 79664125
2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26943718

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid (CID 63646594) is 2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid is N#Cc1ccccc1S(=O)(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid?
The InChIKey is UAPUQSLVPSZUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O6S/c12-5-8-3-1-2-4-9(8)20(18,19)13(6-10(14)15)7-11(16)17/h1-4H,6-7H2,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid?
2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid has a molecular weight of 298.28 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 63646594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).