4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid

C18H24N2O6S — CID 119229583

IUPAC4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H24N2O6S/c21-17(19-14-7-5-13(6-8-14)18(22)23)15-3-1-2-4-16(15)27(24,25)20-9-11-26-12-10-20/h1-4,13-14H,5-12H2,(H,19,21)(H,22,23)
InChIKeyZTJKJRNABLGSMZ-UHFFFAOYSA-N
MW396.47 g/mol
LogP1.08
Rot. Bonds5

About 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid

4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119229583) has the molecular formula C18H24N2O6S and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119229583
Molecular FormulaC18H24N2O6S
Molecular Weight396.47 g/mol
Exact Mass396.14
IUPAC Name4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H24N2O6S/c21-17(19-14-7-5-13(6-8-14)18(22)23)15-3-1-2-4-16(15)27(24,25)20-9-11-26-12-10-20/h1-4,13-14H,5-12H2,(H,19,21)(H,22,23)
InChIKeyZTJKJRNABLGSMZ-UHFFFAOYSA-N
XLogP1.08
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-ylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427667
4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229153
2-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
2-[4-(oxan-4-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoic acid
CID 119180961
N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119407704
N-piperidin-3-yl-2-piperidin-1-ylsulfonylbenzamide
CID 119425802
N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623858
N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39892592
N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39888559
N'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide
CID 39878344
2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2675099
N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)benzamide
CID 46514703

Frequently Asked Questions

What is the IUPAC name of 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid (CID 119229583) is 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1ccccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZTJKJRNABLGSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6S/c21-17(19-14-7-5-13(6-8-14)18(22)23)15-3-1-2-4-16(15)27(24,25)20-9-11-26-12-10-20/h1-4,13-14H,5-12H2,(H,19,21)(H,22,23).
What are the key properties of 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 396.47 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).