methyl 5-[[(4E)-5-fluoro-2-methylhexa-2,4-dien-3-yl]sulfamoyl]-2-hydroxybenzoate

C15H18FNO5S — CID 155021888

IUPACmethyl 5-[[(4E)-5-fluoro-2-methylhexa-2,4-dien-3-yl]sulfamoyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)NC(/C=C(\C)F)=C(C)C)ccc1O
InChIInChI=1S/C15H18FNO5S/c1-9(2)13(7-10(3)16)17-23(20,21)11-5-6-14(18)12(8-11)15(19)22-4/h5-8,17-18H,1-4H3/b10-7+
InChIKeyDEPMXENSSZEXLX-JXMROGBWSA-N
MW343.38 g/mol
LogP2.62
Rot. Bonds5

About methyl 5-[[(4E)-5-fluoro-2-methylhexa-2,4-dien-3-yl]sulfamoyl]-2-hydroxybenzoate

methyl 5-[[(4E)-5-fluoro-2-methylhexa-2,4-dien-3-yl]sulfamoyl]-2-hydroxybenzoate (PubChem CID 155021888) has the molecular formula C15H18FNO5S and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 5-[[(4E)-5-fluoro-2-methylhexa-2,4-dien-3-yl]sulfamoyl]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[(4E)-5-fluoro-2-methylhexa-2,4-dien-3-yl]sulfamoyl]-2-hydroxybenzoate
PubChem CID155021888
Molecular FormulaC15H18FNO5S
Molecular Weight343.38 g/mol
Exact Mass343.09
IUPAC Namemethyl 5-[[(4E)-5-fluoro-2-methylhexa-2,4-dien-3-yl]sulfamoyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)NC(/C=C(\C)F)=C(C)C)ccc1O
InChIInChI=1S/C15H18FNO5S/c1-9(2)13(7-10(3)16)17-23(20,21)11-5-6-14(18)12(8-11)15(19)22-4/h5-8,17-18H,1-4H3/b10-7+
InChIKeyDEPMXENSSZEXLX-JXMROGBWSA-N
XLogP2.62
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-[[(4E)-5-fluoro-2-methylhexa-2,4-dien-3-yl]sulfamoyl]-2-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-hydroxy-5-methoxysulfonylbenzoate
CID 131860467
2-[(4-hydroxy-3-methoxycarbonylphenyl)sulfonylamino]-3,4,5-trimethoxybenzoic acid
CID 55894761
methyl 5-[3-(dimethylamino)propylsulfamoyl]-2-hydroxybenzoate
CID 61061961
2-[[4-[(4-hydroxy-3-methoxycarbonylphenyl)sulfonylamino]benzoyl]amino]acetic acid
CID 55878671
methyl 5-(hex-1-yn-3-ylsulfamoyl)-2-hydroxybenzoate
CID 106225511
methyl 2-hydroxy-5-(2-prop-2-ynylsulfanylethylsulfamoyl)benzoate
CID 106430330
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
methyl 2-hydroxy-5-[(4-nitrophenyl)sulfonylamino]benzoate
CID 142680079
methyl 5-[[[2-(1-adamantyl)acetyl]amino]sulfamoyl]-2-hydroxybenzoate
CID 55879812
methyl 5-[[3-(1,3-dithian-2-yl)phenyl]sulfamoyl]-2-hydroxybenzoate
CID 91641714
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
methyl 2-bromo-5-sulfamoylbenzoate
CID 43828340

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(4E)-5-fluoro-2-methylhexa-2,4-dien-3-yl]sulfamoyl]-2-hydroxybenzoate?
The IUPAC name of methyl 5-[[(4E)-5-fluoro-2-methylhexa-2,4-dien-3-yl]sulfamoyl]-2-hydroxybenzoate (CID 155021888) is methyl 5-[[(4E)-5-fluoro-2-methylhexa-2,4-dien-3-yl]sulfamoyl]-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-[[(4E)-5-fluoro-2-methylhexa-2,4-dien-3-yl]sulfamoyl]-2-hydroxybenzoate?
The canonical SMILES for methyl 5-[[(4E)-5-fluoro-2-methylhexa-2,4-dien-3-yl]sulfamoyl]-2-hydroxybenzoate is COC(=O)c1cc(S(=O)(=O)NC(/C=C(\C)F)=C(C)C)ccc1O.
What is the InChIKey of methyl 5-[[(4E)-5-fluoro-2-methylhexa-2,4-dien-3-yl]sulfamoyl]-2-hydroxybenzoate?
The InChIKey is DEPMXENSSZEXLX-JXMROGBWSA-N. The full InChI is InChI=1S/C15H18FNO5S/c1-9(2)13(7-10(3)16)17-23(20,21)11-5-6-14(18)12(8-11)15(19)22-4/h5-8,17-18H,1-4H3/b10-7+.
What are the key properties of methyl 5-[[(4E)-5-fluoro-2-methylhexa-2,4-dien-3-yl]sulfamoyl]-2-hydroxybenzoate?
methyl 5-[[(4E)-5-fluoro-2-methylhexa-2,4-dien-3-yl]sulfamoyl]-2-hydroxybenzoate has a molecular weight of 343.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(4E)-5-fluoro-2-methylhexa-2,4-dien-3-yl]sulfamoyl]-2-hydroxybenzoate is sourced from PubChem (CID 155021888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).