4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid

C17H22N2O6S — CID 119239665

IUPAC4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CCO1
InChIInChI=1S/C17H22N2O6S/c20-16(19-8-9-25-15(11-19)17(21)22)12-4-3-7-14(10-12)26(23,24)18-13-5-1-2-6-13/h3-4,7,10,13,15,18H,1-2,5-6,8-9,11H2,(H,21,22)
InChIKeyXBPBLUFQDPSODM-UHFFFAOYSA-N
MW382.44 g/mol
LogP0.83
Rot. Bonds5

About 4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid

4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid (PubChem CID 119239665) has the molecular formula C17H22N2O6S and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
PubChem CID119239665
Molecular FormulaC17H22N2O6S
Molecular Weight382.44 g/mol
Exact Mass382.12
IUPAC Name4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CCO1
InChIInChI=1S/C17H22N2O6S/c20-16(19-8-9-25-15(11-19)17(21)22)12-4-3-7-14(10-12)26(23,24)18-13-5-1-2-6-13/h3-4,7,10,13,15,18H,1-2,5-6,8-9,11H2,(H,21,22)
InChIKeyXBPBLUFQDPSODM-UHFFFAOYSA-N
XLogP0.83
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354621
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopentylbenzenesulfonamide;hydrochloride
CID 119409335
1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 46578445
N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063352
N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30855365
N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063351
N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119394896
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
4-[4-(trifluoromethylsulfonyl)benzoyl]morpholine-2-carboxylic acid
CID 126795264
N-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 55569691
3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119423037
3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid (CID 119239665) is 4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CCO1.
What is the InChIKey of 4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid?
The InChIKey is XBPBLUFQDPSODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6S/c20-16(19-8-9-25-15(11-19)17(21)22)12-4-3-7-14(10-12)26(23,24)18-13-5-1-2-6-13/h3-4,7,10,13,15,18H,1-2,5-6,8-9,11H2,(H,21,22).
What are the key properties of 4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid?
4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid has a molecular weight of 382.44 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).