4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid

C14H17NO4S — CID 43362563

IUPAC4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid
SMILESC=CCN(CC=C)S(=O)(=O)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H17NO4S/c1-3-9-15(10-4-2)20(18,19)11-12-5-7-13(8-6-12)14(16)17/h3-8H,1-2,9-11H2,(H,16,17)
InChIKeyUVEVLASCTKVYNC-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.89
Rot. Bonds8

About 4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid

4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid (PubChem CID 43362563) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid
PubChem CID43362563
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid
SMILESC=CCN(CC=C)S(=O)(=O)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H17NO4S/c1-3-9-15(10-4-2)20(18,19)11-12-5-7-13(8-6-12)14(16)17/h3-8H,1-2,9-11H2,(H,16,17)
InChIKeyUVEVLASCTKVYNC-UHFFFAOYSA-N
XLogP1.89
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid
CID 103338521
4-[bis(prop-2-enyl)sulfamoyl]benzoic acid
CID 2049576
4-(prop-2-enylsulfamoylmethyl)benzoic acid
CID 43362558
4-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]benzoic acid
CID 82071251
4-(benzylsulfonylmethyl)benzoic acid
CID 43444416
1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide
CID 107857451
4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid
CID 43362585
4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid
CID 60952320
2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid
CID 43440466
2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]acetamide
CID 15118163
1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide
CID 107857512
but-3-enoic acid;terephthalic acid
CID 158519909

Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid?
The IUPAC name of 4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid (CID 43362563) is 4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid.
What is the SMILES notation for 4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid?
The canonical SMILES for 4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid is C=CCN(CC=C)S(=O)(=O)Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid?
The InChIKey is UVEVLASCTKVYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-3-9-15(10-4-2)20(18,19)11-12-5-7-13(8-6-12)14(16)17/h3-8H,1-2,9-11H2,(H,16,17).
What are the key properties of 4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid?
4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid has a molecular weight of 295.36 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid is sourced from PubChem (CID 43362563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).