4-amino-3-morpholin-4-ylsulfonylbenzoic acid

C11H14N2O5S — CID 89358468

IUPAC4-amino-3-morpholin-4-ylsulfonylbenzoic acid
SMILESNc1ccc(C(=O)O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H14N2O5S/c12-9-2-1-8(11(14)15)7-10(9)19(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6,12H2,(H,14,15)
InChIKeyYFOYYTSEBCUIJV-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.01
Rot. Bonds3

About 4-amino-3-morpholin-4-ylsulfonylbenzoic acid

4-amino-3-morpholin-4-ylsulfonylbenzoic acid (PubChem CID 89358468) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-amino-3-morpholin-4-ylsulfonylbenzoic acid.

Molecular Properties

Compound Name4-amino-3-morpholin-4-ylsulfonylbenzoic acid
PubChem CID89358468
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name4-amino-3-morpholin-4-ylsulfonylbenzoic acid
SMILESNc1ccc(C(=O)O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H14N2O5S/c12-9-2-1-8(11(14)15)7-10(9)19(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6,12H2,(H,14,15)
InChIKeyYFOYYTSEBCUIJV-UHFFFAOYSA-N
XLogP-0.01
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(1,4,7-dioxazonan-7-ylsulfonyl)-3-methylbenzoic acid
CID 166273277
4-amino-3-morpholin-4-ylsulfonyl-N-[(4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 140524144
4-chloro-2-(1,4-oxazepan-4-ylsulfonyl)aniline
CID 62987073
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
2-amino-3-morpholin-4-ylsulfonylbenzoic acid
CID 155339937
5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline
CID 1161043
4-bromo-3-morpholin-4-ylsulfonylbenzoate
CID 3668553
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3668064
2-amino-6-morpholin-4-ylsulfonylphenol
CID 59675783
cyanomethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2681686
4-amino-2-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 102931217

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-morpholin-4-ylsulfonylbenzoic acid?
The IUPAC name of 4-amino-3-morpholin-4-ylsulfonylbenzoic acid (CID 89358468) is 4-amino-3-morpholin-4-ylsulfonylbenzoic acid.
What is the SMILES notation for 4-amino-3-morpholin-4-ylsulfonylbenzoic acid?
The canonical SMILES for 4-amino-3-morpholin-4-ylsulfonylbenzoic acid is Nc1ccc(C(=O)O)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-amino-3-morpholin-4-ylsulfonylbenzoic acid?
The InChIKey is YFOYYTSEBCUIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c12-9-2-1-8(11(14)15)7-10(9)19(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6,12H2,(H,14,15).
What are the key properties of 4-amino-3-morpholin-4-ylsulfonylbenzoic acid?
4-amino-3-morpholin-4-ylsulfonylbenzoic acid has a molecular weight of 286.31 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-morpholin-4-ylsulfonylbenzoic acid is sourced from PubChem (CID 89358468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).