5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid

C15H20N2O5S — CID 68839577

IUPAC5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid
SMILESCN(C1CC1)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O5S/c1-16(11-2-3-11)23(20,21)12-4-5-14(13(10-12)15(18)19)17-6-8-22-9-7-17/h4-5,10-11H,2-3,6-9H2,1H3,(H,18,19)
InChIKeyWUGBCFSCJIDZSQ-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.00
Rot. Bonds5

About 5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid

5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid (PubChem CID 68839577) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid
PubChem CID68839577
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid
SMILESCN(C1CC1)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O5S/c1-16(11-2-3-11)23(20,21)12-4-5-14(13(10-12)15(18)19)17-6-8-22-9-7-17/h4-5,10-11H,2-3,6-9H2,1H3,(H,18,19)
InChIKeyWUGBCFSCJIDZSQ-UHFFFAOYSA-N
XLogP1.00
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-5-[methyl(oxan-4-yl)sulfamoyl]benzoic acid
CID 43610875
N-cyclohexyl-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 30929978
5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid
CID 99982592
2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid
CID 119223365
2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid
CID 99981682
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119400713
N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 55549228
[(1S)-1-phenylethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 7883877
2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 42983355
3-[(4aR,7aR)-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 99794658
[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 39964363

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid?
The IUPAC name of 5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid (CID 68839577) is 5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid?
The canonical SMILES for 5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid is CN(C1CC1)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1.
What is the InChIKey of 5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid?
The InChIKey is WUGBCFSCJIDZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-16(11-2-3-11)23(20,21)12-4-5-14(13(10-12)15(18)19)17-6-8-22-9-7-17/h4-5,10-11H,2-3,6-9H2,1H3,(H,18,19).
What are the key properties of 5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid?
5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid has a molecular weight of 340.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 68839577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).