5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic acid

C19H22N2O5S — CID 2804700

IUPAC5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic acid
SMILESCC1CN(c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)O)CC(C)O1
InChIInChI=1S/C19H22N2O5S/c1-13-11-21(12-14(2)26-13)18-9-8-15(10-17(18)19(22)23)20-27(24,25)16-6-4-3-5-7-16/h3-10,13-14,20H,11-12H2,1-2H3,(H,22,23)
InChIKeyWRAPDKKJWYYHSI-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.80
Rot. Bonds5

About 5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic acid

5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic acid (PubChem CID 2804700) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic acid.

Molecular Properties

Compound Name5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic acid
PubChem CID2804700
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic acid
SMILESCC1CN(c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)O)CC(C)O1
InChIInChI=1S/C19H22N2O5S/c1-13-11-21(12-14(2)26-13)18-9-8-15(10-17(18)19(22)23)20-27(24,25)16-6-4-3-5-7-16/h3-10,13-14,20H,11-12H2,1-2H3,(H,22,23)
InChIKeyWRAPDKKJWYYHSI-UHFFFAOYSA-N
XLogP2.80
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-Morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid
CID 2433199
Anthranilic Acid Sulfonamide, 10q
CID 11627001
2-(3,5-Dimethylpiperidino)-5-[(phenylsulfonyl)amino]benzoic acid
CID 2804709
5-(Dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid
CID 2512653
5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid
CID 1941989
5-{[(2-Carboxyphenyl)amino]sulfonyl}-2-[(3-carboxypropyl)amino]benzoic acid
CID 2255695
2-{[2-Methyl-5-(4-morpholinylsulfonyl)benzoyl]amino}benzoic acid
CID 1251752
5-(Diethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid
CID 2577517
2-(Morpholin-4-yl)-5-(morpholine-4-sulfonyl)benzoic acid
CID 4961661
3-[4-Methyl-3-(morpholine-4-sulfonyl)-benzoylamino]-benzoic acid
CID 1081904
3-[(2-Morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 2386105
Ethyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 2392189

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic acid?
The IUPAC name of 5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic acid (CID 2804700) is 5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic acid.
What is the SMILES notation for 5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic acid?
The canonical SMILES for 5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic acid is CC1CN(c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)O)CC(C)O1.
What is the InChIKey of 5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic acid?
The InChIKey is WRAPDKKJWYYHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13-11-21(12-14(2)26-13)18-9-8-15(10-17(18)19(22)23)20-27(24,25)16-6-4-3-5-7-16/h3-10,13-14,20H,11-12H2,1-2H3,(H,22,23).
What are the key properties of 5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic acid?
5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic acid has a molecular weight of 390.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic acid is sourced from PubChem (CID 2804700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).