4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid

C14H17NO5S — CID 146134236

IUPAC4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid
SMILESC=CCN(C1CC1)S(=O)(=O)c1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C14H17NO5S/c1-3-8-15(10-4-5-10)21(18,19)11-6-7-12(14(16)17)13(9-11)20-2/h3,6-7,9-10H,1,4-5,8H2,2H3,(H,16,17)
InChIKeyIWPYVEXFFXTLHL-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.73
Rot. Bonds7

About 4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid

4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid (PubChem CID 146134236) has the molecular formula C14H17NO5S and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid
PubChem CID146134236
Molecular FormulaC14H17NO5S
Molecular Weight311.36 g/mol
Exact Mass311.08
IUPAC Name4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid
SMILESC=CCN(C1CC1)S(=O)(=O)c1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C14H17NO5S/c1-3-8-15(10-4-5-10)21(18,19)11-6-7-12(14(16)17)13(9-11)20-2/h3,6-7,9-10H,1,4-5,8H2,2H3,(H,16,17)
InChIKeyIWPYVEXFFXTLHL-UHFFFAOYSA-N
XLogP1.73
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
CID 60829007
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide
CID 43577523
methyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate
CID 102931502
4-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzoic acid
CID 53228823
4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide
CID 106833564
2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid
CID 60950243
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 7414153
5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 23968657
4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81440815
N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 24663505
3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43263870
2-methoxy-5-[methyl(prop-2-enyl)sulfamoyl]benzamide
CID 146024512

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid?
The IUPAC name of 4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid (CID 146134236) is 4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid?
The canonical SMILES for 4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid is C=CCN(C1CC1)S(=O)(=O)c1ccc(C(=O)O)c(OC)c1.
What is the InChIKey of 4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid?
The InChIKey is IWPYVEXFFXTLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5S/c1-3-8-15(10-4-5-10)21(18,19)11-6-7-12(14(16)17)13(9-11)20-2/h3,6-7,9-10H,1,4-5,8H2,2H3,(H,16,17).
What are the key properties of 4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid?
4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid has a molecular weight of 311.36 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid is sourced from PubChem (CID 146134236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).