3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid

C12H15NO5S — CID 55067218

IUPAC3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C12H15NO5S/c1-18-10-6-5-8(12(14)15)7-11(10)19(16,17)13-9-3-2-4-9/h5-7,9,13H,2-4H2,1H3,(H,14,15)
InChIKeyMWGFDVKTCGGDMP-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.22
Rot. Bonds5

About 3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid

3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid (PubChem CID 55067218) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
PubChem CID55067218
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C12H15NO5S/c1-18-10-6-5-8(12(14)15)7-11(10)19(16,17)13-9-3-2-4-9/h5-7,9,13H,2-4H2,1H3,(H,14,15)
InChIKeyMWGFDVKTCGGDMP-UHFFFAOYSA-N
XLogP1.22
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-methoxy-4-(thian-4-ylsulfamoyl)benzoic acid
CID 102695480
3-[[(3R)-1-cyanopyrrolidin-3-yl]sulfamoyl]-4-methoxybenzoic acid
CID 87579481
3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450739
cis-(1R,3S)-3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677585
3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid
CID 28511770
3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249130
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 124727033
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119501094

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid?
The IUPAC name of 3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid (CID 55067218) is 3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid?
The canonical SMILES for 3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCC1.
What is the InChIKey of 3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid?
The InChIKey is MWGFDVKTCGGDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-18-10-6-5-8(12(14)15)7-11(10)19(16,17)13-9-3-2-4-9/h5-7,9,13H,2-4H2,1H3,(H,14,15).
What are the key properties of 3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid?
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid has a molecular weight of 285.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid is sourced from PubChem (CID 55067218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).