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

C11H14N2O5S — CID 155339937

IUPAC2-amino-3-morpholin-4-ylsulfonylbenzoic acid
SMILESNc1c(C(=O)O)cccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H14N2O5S/c12-10-8(11(14)15)2-1-3-9(10)19(16,17)13-4-6-18-7-5-13/h1-3H,4-7,12H2,(H,14,15)
InChIKeyWAMOISYCHLANNK-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.01
Rot. Bonds3

About 2-amino-3-morpholin-4-ylsulfonylbenzoic acid

2-amino-3-morpholin-4-ylsulfonylbenzoic acid (PubChem CID 155339937) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-amino-3-morpholin-4-ylsulfonylbenzoic acid.

Molecular Properties

Compound Name2-amino-3-morpholin-4-ylsulfonylbenzoic acid
PubChem CID155339937
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name2-amino-3-morpholin-4-ylsulfonylbenzoic acid
SMILESNc1c(C(=O)O)cccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H14N2O5S/c12-10-8(11(14)15)2-1-3-9(10)19(16,17)13-4-6-18-7-5-13/h1-3H,4-7,12H2,(H,14,15)
InChIKeyWAMOISYCHLANNK-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

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CID 59675783
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4-amino-3-morpholin-4-ylsulfonylbenzoic acid
CID 89358468
2-morpholin-4-ylsulfonylphenol
CID 79020270
4-amino-2-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 102931217
2-morpholin-4-ylsulfonylbenzenesulfonamide
CID 43342653
4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid
CID 102919371
(2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402696
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
2-(azetidin-1-ylsulfonyl)benzoic acid
CID 43440231
N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119407704
N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39888559

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-morpholin-4-ylsulfonylbenzoic acid?
The IUPAC name of 2-amino-3-morpholin-4-ylsulfonylbenzoic acid (CID 155339937) is 2-amino-3-morpholin-4-ylsulfonylbenzoic acid.
What is the SMILES notation for 2-amino-3-morpholin-4-ylsulfonylbenzoic acid?
The canonical SMILES for 2-amino-3-morpholin-4-ylsulfonylbenzoic acid is Nc1c(C(=O)O)cccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-amino-3-morpholin-4-ylsulfonylbenzoic acid?
The InChIKey is WAMOISYCHLANNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c12-10-8(11(14)15)2-1-3-9(10)19(16,17)13-4-6-18-7-5-13/h1-3H,4-7,12H2,(H,14,15).
What are the key properties of 2-amino-3-morpholin-4-ylsulfonylbenzoic acid?
2-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 2-amino-3-morpholin-4-ylsulfonylbenzoic acid is sourced from PubChem (CID 155339937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).