3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid

C18H19ClN2O6S — CID 46292427

IUPAC3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)O)ccc1N1CCOCC1
InChIInChI=1S/C18H19ClN2O6S/c1-26-16-5-3-13(19)11-17(16)28(24,25)20-14-10-12(18(22)23)2-4-15(14)21-6-8-27-9-7-21/h2-5,10-11,20H,6-9H2,1H3,(H,22,23)
InChIKeyCOKMVWQZEPTYFK-UHFFFAOYSA-N
MW426.88 g/mol
LogP2.68
Rot. Bonds6

About 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid

3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid (PubChem CID 46292427) has the molecular formula C18H19ClN2O6S and a molecular weight of 426.88 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
PubChem CID46292427
Molecular FormulaC18H19ClN2O6S
Molecular Weight426.88 g/mol
Exact Mass426.07
IUPAC Name3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)O)ccc1N1CCOCC1
InChIInChI=1S/C18H19ClN2O6S/c1-26-16-5-3-13(19)11-17(16)28(24,25)20-14-10-12(18(22)23)2-4-15(14)21-6-8-27-9-7-21/h2-5,10-11,20H,6-9H2,1H3,(H,22,23)
InChIKeyCOKMVWQZEPTYFK-UHFFFAOYSA-N
XLogP2.68
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid with MolForge

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Related Compounds

3-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 4806611
3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767039
3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid
CID 73437637
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 113092763
2,5-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4827921
4-methoxy-3-[[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 167367561
5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039759
3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292418
5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39826976
3-[(4-ethoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767046
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid
CID 46291804
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide
CID 55880070

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid (CID 46292427) is 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid is COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)O)ccc1N1CCOCC1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid?
The InChIKey is COKMVWQZEPTYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O6S/c1-26-16-5-3-13(19)11-17(16)28(24,25)20-14-10-12(18(22)23)2-4-15(14)21-6-8-27-9-7-21/h2-5,10-11,20H,6-9H2,1H3,(H,22,23).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid?
3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid has a molecular weight of 426.88 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 46292427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).