3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid

C14H19NO5S — CID 60950870

IUPAC3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid
SMILESCOCCN(C1CC1)S(=O)(=O)Cc1cccc(C(=O)O)c1
InChIInChI=1S/C14H19NO5S/c1-20-8-7-15(13-5-6-13)21(18,19)10-11-3-2-4-12(9-11)14(16)17/h2-4,9,13H,5-8,10H2,1H3,(H,16,17)
InChIKeyYVOMAQVLHJPOPY-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.33
Rot. Bonds8

About 3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid

3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid (PubChem CID 60950870) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid
PubChem CID60950870
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid
SMILESCOCCN(C1CC1)S(=O)(=O)Cc1cccc(C(=O)O)c1
InChIInChI=1S/C14H19NO5S/c1-20-8-7-15(13-5-6-13)21(18,19)10-11-3-2-4-12(9-11)14(16)17/h2-4,9,13H,5-8,10H2,1H3,(H,16,17)
InChIKeyYVOMAQVLHJPOPY-UHFFFAOYSA-N
XLogP1.33
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide
CID 61451821
3-[cyclopropyl(2-methoxyethyl)sulfamoyl]-4-fluorobenzoic acid
CID 60951447
methyl 3-[[piperidin-4-yl(propyl)sulfamoyl]methyl]benzoate;hydrochloride
CID 119994180
1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide
CID 61067231
N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide
CID 61251839
3-(3-methoxypropylsulfamoylmethyl)benzoic acid
CID 43362620
3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid
CID 55136245
3-(ethylsulfonylmethyl)benzoic acid
CID 43386055
3-[[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylmethyl]benzoic acid
CID 64570843
3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119389
3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid
CID 114814467
methyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate
CID 43577601

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid?
The IUPAC name of 3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid (CID 60950870) is 3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid.
What is the SMILES notation for 3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid?
The canonical SMILES for 3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid is COCCN(C1CC1)S(=O)(=O)Cc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid?
The InChIKey is YVOMAQVLHJPOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-20-8-7-15(13-5-6-13)21(18,19)10-11-3-2-4-12(9-11)14(16)17/h2-4,9,13H,5-8,10H2,1H3,(H,16,17).
What are the key properties of 3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid?
3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid has a molecular weight of 313.38 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid is sourced from PubChem (CID 60950870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).