4-[(3-ethoxyspiro[3.3]heptan-1-yl)sulfamoyl]-3-methoxybenzoic acid

C17H23NO6S — CID 136549077

IUPAC4-[(3-ethoxyspiro[3.3]heptan-1-yl)sulfamoyl]-3-methoxybenzoic acid
SMILESCCOC1CC(NS(=O)(=O)c2ccc(C(=O)O)cc2OC)C12CCC2
InChIInChI=1S/C17H23NO6S/c1-3-24-15-10-14(17(15)7-4-8-17)18-25(21,22)13-6-5-11(16(19)20)9-12(13)23-2/h5-6,9,14-15,18H,3-4,7-8,10H2,1-2H3,(H,19,20)
InChIKeyVJLQKTHBBDBPHW-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.02
Rot. Bonds7

About 4-[(3-ethoxyspiro[3.3]heptan-1-yl)sulfamoyl]-3-methoxybenzoic acid

4-[(3-ethoxyspiro[3.3]heptan-1-yl)sulfamoyl]-3-methoxybenzoic acid (PubChem CID 136549077) has the molecular formula C17H23NO6S and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-[(3-ethoxyspiro[3.3]heptan-1-yl)sulfamoyl]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(3-ethoxyspiro[3.3]heptan-1-yl)sulfamoyl]-3-methoxybenzoic acid
PubChem CID136549077
Molecular FormulaC17H23NO6S
Molecular Weight369.44 g/mol
Exact Mass369.12
IUPAC Name4-[(3-ethoxyspiro[3.3]heptan-1-yl)sulfamoyl]-3-methoxybenzoic acid
SMILESCCOC1CC(NS(=O)(=O)c2ccc(C(=O)O)cc2OC)C12CCC2
InChIInChI=1S/C17H23NO6S/c1-3-24-15-10-14(17(15)7-4-8-17)18-25(21,22)13-6-5-11(16(19)20)9-12(13)23-2/h5-6,9,14-15,18H,3-4,7-8,10H2,1-2H3,(H,19,20)
InChIKeyVJLQKTHBBDBPHW-UHFFFAOYSA-N
XLogP2.02
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3-ethoxyspiro[3.3]heptan-1-yl)sulfamoyl]-3-methoxybenzoic acid with MolForge

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Related Compounds

4-[(2,2-dimethylcyclopropyl)sulfamoyl]-3-methoxybenzoic acid
CID 102694792
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295433
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4-fluorobenzoic acid
CID 65294954
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295482
4-[(1-hydroxycyclobutyl)methylsulfamoyl]-3-methoxybenzoic acid
CID 102695513
3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid
CID 102695439
3-methoxy-4-(thian-4-ylsulfamoyl)benzoic acid
CID 102695480
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 99586180
N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide
CID 71997395
3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid
CID 106185328

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxyspiro[3.3]heptan-1-yl)sulfamoyl]-3-methoxybenzoic acid?
The IUPAC name of 4-[(3-ethoxyspiro[3.3]heptan-1-yl)sulfamoyl]-3-methoxybenzoic acid (CID 136549077) is 4-[(3-ethoxyspiro[3.3]heptan-1-yl)sulfamoyl]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[(3-ethoxyspiro[3.3]heptan-1-yl)sulfamoyl]-3-methoxybenzoic acid?
The canonical SMILES for 4-[(3-ethoxyspiro[3.3]heptan-1-yl)sulfamoyl]-3-methoxybenzoic acid is CCOC1CC(NS(=O)(=O)c2ccc(C(=O)O)cc2OC)C12CCC2.
What is the InChIKey of 4-[(3-ethoxyspiro[3.3]heptan-1-yl)sulfamoyl]-3-methoxybenzoic acid?
The InChIKey is VJLQKTHBBDBPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6S/c1-3-24-15-10-14(17(15)7-4-8-17)18-25(21,22)13-6-5-11(16(19)20)9-12(13)23-2/h5-6,9,14-15,18H,3-4,7-8,10H2,1-2H3,(H,19,20).
What are the key properties of 4-[(3-ethoxyspiro[3.3]heptan-1-yl)sulfamoyl]-3-methoxybenzoic acid?
4-[(3-ethoxyspiro[3.3]heptan-1-yl)sulfamoyl]-3-methoxybenzoic acid has a molecular weight of 369.44 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxyspiro[3.3]heptan-1-yl)sulfamoyl]-3-methoxybenzoic acid is sourced from PubChem (CID 136549077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).