2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid

C16H14N2O6S — CID 167864480

IUPAC2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
InChIInChI=1S/C16H14N2O6S/c19-15(20)7-10-2-1-3-11(6-10)9-17-25(22,23)12-4-5-13-14(8-12)24-16(21)18-13/h1-6,8,17H,7,9H2,(H,18,21)(H,19,20)
InChIKeyGXALFRGNMLHMKE-UHFFFAOYSA-N
MW362.36 g/mol
LogP1.23
Rot. Bonds6

About 2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid

2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid (PubChem CID 167864480) has the molecular formula C16H14N2O6S and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid
PubChem CID167864480
Molecular FormulaC16H14N2O6S
Molecular Weight362.36 g/mol
Exact Mass362.06
IUPAC Name2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
InChIInChI=1S/C16H14N2O6S/c19-15(20)7-10-2-1-3-11(6-10)9-17-25(22,23)12-4-5-13-14(8-12)24-16(21)18-13/h1-6,8,17H,7,9H2,(H,18,21)(H,19,20)
InChIKeyGXALFRGNMLHMKE-UHFFFAOYSA-N
XLogP1.23
TPSA129.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-hydroxy-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetic acid
CID 108783001
6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
CID 7573837
2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110405075
N-[(6-methylpyridazin-3-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110738013
N-[3-(3-chlorophenyl)propyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110661206
2-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110318496
N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110427909
N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110733943
3-[benzyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]propanoic acid
CID 45328014
N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110719026
3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786829
N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345198

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid (CID 167864480) is 2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid is O=C(O)Cc1cccc(CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1.
What is the InChIKey of 2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid?
The InChIKey is GXALFRGNMLHMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6S/c19-15(20)7-10-2-1-3-11(6-10)9-17-25(22,23)12-4-5-13-14(8-12)24-16(21)18-13/h1-6,8,17H,7,9H2,(H,18,21)(H,19,20).
What are the key properties of 2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid?
2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid has a molecular weight of 362.36 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid is sourced from PubChem (CID 167864480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).