4-(dicyclopropylsulfamoyl)-3-methoxybenzoic acid

C14H17NO5S — CID 136570730

IUPAC4-(dicyclopropylsulfamoyl)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1S(=O)(=O)N(C1CC1)C1CC1
InChIInChI=1S/C14H17NO5S/c1-20-12-8-9(14(16)17)2-7-13(12)21(18,19)15(10-3-4-10)11-5-6-11/h2,7-8,10-11H,3-6H2,1H3,(H,16,17)
InChIKeyDBSSICWLLFUBBS-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.71
Rot. Bonds6

About 4-(dicyclopropylsulfamoyl)-3-methoxybenzoic acid

4-(dicyclopropylsulfamoyl)-3-methoxybenzoic acid (PubChem CID 136570730) has the molecular formula C14H17NO5S and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-(dicyclopropylsulfamoyl)-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-(dicyclopropylsulfamoyl)-3-methoxybenzoic acid
PubChem CID136570730
Molecular FormulaC14H17NO5S
Molecular Weight311.36 g/mol
Exact Mass311.08
IUPAC Name4-(dicyclopropylsulfamoyl)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1S(=O)(=O)N(C1CC1)C1CC1
InChIInChI=1S/C14H17NO5S/c1-20-12-8-9(14(16)17)2-7-13(12)21(18,19)15(10-3-4-10)11-5-6-11/h2,7-8,10-11H,3-6H2,1H3,(H,16,17)
InChIKeyDBSSICWLLFUBBS-UHFFFAOYSA-N
XLogP1.71
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
4-[butan-2-yl(methyl)sulfamoyl]-3-methoxybenzoic acid
CID 102694697
4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]-3-methoxybenzoic acid
CID 102695383
3-methoxy-4-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 102694750
3-methoxy-4-(thian-4-ylsulfamoyl)benzoic acid
CID 102695480
3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 102694638
4-[(2,2-dimethylcyclopropyl)sulfamoyl]-3-methoxybenzoic acid
CID 102694792
4-(2-ethylpyrrolidin-1-yl)sulfonyl-3-methoxybenzoic acid
CID 102694755
3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid
CID 102695439
3-methoxy-4-(phenylsulfamoyl)benzoic acid
CID 102694630
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
4-[(1-hydroxycyclobutyl)methylsulfamoyl]-3-methoxybenzoic acid
CID 102695513

Frequently Asked Questions

What is the IUPAC name of 4-(dicyclopropylsulfamoyl)-3-methoxybenzoic acid?
The IUPAC name of 4-(dicyclopropylsulfamoyl)-3-methoxybenzoic acid (CID 136570730) is 4-(dicyclopropylsulfamoyl)-3-methoxybenzoic acid.
What is the SMILES notation for 4-(dicyclopropylsulfamoyl)-3-methoxybenzoic acid?
The canonical SMILES for 4-(dicyclopropylsulfamoyl)-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1S(=O)(=O)N(C1CC1)C1CC1.
What is the InChIKey of 4-(dicyclopropylsulfamoyl)-3-methoxybenzoic acid?
The InChIKey is DBSSICWLLFUBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5S/c1-20-12-8-9(14(16)17)2-7-13(12)21(18,19)15(10-3-4-10)11-5-6-11/h2,7-8,10-11H,3-6H2,1H3,(H,16,17).
What are the key properties of 4-(dicyclopropylsulfamoyl)-3-methoxybenzoic acid?
4-(dicyclopropylsulfamoyl)-3-methoxybenzoic acid has a molecular weight of 311.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dicyclopropylsulfamoyl)-3-methoxybenzoic acid is sourced from PubChem (CID 136570730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).