2-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenoxy]acetic acid

C19H16N2O6S — CID 155948755

IUPAC2-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H16N2O6S/c22-18(23)12-27-14-8-10-15(11-9-14)28(25,26)21-20-19(24)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,21H,12H2,(H,20,24)(H,22,23)
InChIKeyFFQXEFHAXBDFFR-UHFFFAOYSA-N
MW400.41 g/mol
LogP1.93
Rot. Bonds7

About 2-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenoxy]acetic acid

2-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenoxy]acetic acid (PubChem CID 155948755) has the molecular formula C19H16N2O6S and a molecular weight of 400.41 g/mol. Its IUPAC name is 2-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenoxy]acetic acid
PubChem CID155948755
Molecular FormulaC19H16N2O6S
Molecular Weight400.41 g/mol
Exact Mass400.07
IUPAC Name2-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H16N2O6S/c22-18(23)12-27-14-8-10-15(11-9-14)28(25,26)21-20-19(24)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,21H,12H2,(H,20,24)(H,22,23)
InChIKeyFFQXEFHAXBDFFR-UHFFFAOYSA-N
XLogP1.93
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide
CID 108573152
N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide
CID 905489
N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide
CID 26982271
2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
CID 23470953
2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid
CID 43132249
N-(4-phenylmethoxyphenyl)naphthalene-1-carboxamide
CID 1336313
naphthalene;2-phenoxyacetic acid
CID 175275275
N'-(4-ethoxyphenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 7940958
2-[4-[4-(carboxymethoxy)phenyl]sulfonyloxyphenoxy]acetic acid
CID 139738775
2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide
CID 8614803
N'-(benzenesulfonyl)-4-methoxybenzohydrazide
CID 795528

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenoxy]acetic acid (CID 155948755) is 2-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenoxy]acetic acid is O=C(O)COc1ccc(S(=O)(=O)NNC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of 2-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenoxy]acetic acid?
The InChIKey is FFQXEFHAXBDFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6S/c22-18(23)12-27-14-8-10-15(11-9-14)28(25,26)21-20-19(24)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,21H,12H2,(H,20,24)(H,22,23).
What are the key properties of 2-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenoxy]acetic acid?
2-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenoxy]acetic acid has a molecular weight of 400.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenoxy]acetic acid is sourced from PubChem (CID 155948755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).