3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid

C12H15NO5S — CID 28511770

IUPAC3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NCC1CC1
InChIInChI=1S/C12H15NO5S/c1-18-10-5-4-9(12(14)15)6-11(10)19(16,17)13-7-8-2-3-8/h4-6,8,13H,2-3,7H2,1H3,(H,14,15)
InChIKeyBXNOFHAQPHFPKN-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.08
Rot. Bonds6

About 3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid

3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid (PubChem CID 28511770) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid
PubChem CID28511770
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NCC1CC1
InChIInChI=1S/C12H15NO5S/c1-18-10-5-4-9(12(14)15)6-11(10)19(16,17)13-7-8-2-3-8/h4-6,8,13H,2-3,7H2,1H3,(H,14,15)
InChIKeyBXNOFHAQPHFPKN-UHFFFAOYSA-N
XLogP1.08
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropylsulfamoyl)-4-methoxybenzoic acid
CID 61168021
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]-4-methoxybenzoic acid
CID 115358266
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
methyl 4-methoxy-3-[[1-(thian-4-yl)piperidin-4-yl]methylsulfamoyl]benzoate
CID 91814290
4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43242507
3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-4-methoxybenzoic acid
CID 107215557
3-(1-hydroxypropan-2-ylsulfamoyl)-4-methoxybenzoic acid
CID 43499107
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-methoxybenzoic acid
CID 45413467
4-chloro-3-[(3-methylcyclopentyl)methylsulfamoyl]benzoic acid
CID 107411393
3-[(4-hydroxy-2-methylbutyl)sulfamoyl]-4-methoxybenzoic acid
CID 66091999
3-[[1-(dimethylamino)cycloheptyl]methylsulfamoyl]-4-methoxybenzoic acid
CID 45422378

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid?
The IUPAC name of 3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid (CID 28511770) is 3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid?
The canonical SMILES for 3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)NCC1CC1.
What is the InChIKey of 3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid?
The InChIKey is BXNOFHAQPHFPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-18-10-5-4-9(12(14)15)6-11(10)19(16,17)13-7-8-2-3-8/h4-6,8,13H,2-3,7H2,1H3,(H,14,15).
What are the key properties of 3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid?
3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid has a molecular weight of 285.32 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid is sourced from PubChem (CID 28511770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).