2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid

C12H16N2O5S — CID 103606245

IUPAC2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid
SMILESCNc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O
InChIInChI=1S/C12H16N2O5S/c1-13-11-3-2-9(8-10(11)12(15)16)20(17,18)14-4-6-19-7-5-14/h2-3,8,13H,4-7H2,1H3,(H,15,16)
InChIKeyGAHRMVNANXONMX-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.45
Rot. Bonds4

About 2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid

2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid (PubChem CID 103606245) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid.

Molecular Properties

Compound Name2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid
PubChem CID103606245
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid
SMILESCNc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O
InChIInChI=1S/C12H16N2O5S/c1-13-11-3-2-9(8-10(11)12(15)16)20(17,18)14-4-6-19-7-5-14/h2-3,8,13H,4-7H2,1H3,(H,15,16)
InChIKeyGAHRMVNANXONMX-UHFFFAOYSA-N
XLogP0.45
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-5-morpholin-4-ylsulfonylphenol
CID 42647844
2-bromo-5-morpholin-4-ylsulfonylbenzoic acid
CID 802146
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide
CID 171989528
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
CID 9163691
2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4008920
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid?
The IUPAC name of 2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid (CID 103606245) is 2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid.
What is the SMILES notation for 2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid?
The canonical SMILES for 2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid is CNc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O.
What is the InChIKey of 2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid?
The InChIKey is GAHRMVNANXONMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-13-11-3-2-9(8-10(11)12(15)16)20(17,18)14-4-6-19-7-5-14/h2-3,8,13H,4-7H2,1H3,(H,15,16).
What are the key properties of 2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid?
2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid has a molecular weight of 300.34 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid is sourced from PubChem (CID 103606245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).