(E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid

C15H14N2O4S — CID 6217942

IUPAC(E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid
SMILESCc1cccnc1NS(=O)(=O)c1ccc(/C=C/C(=O)O)cc1
InChIInChI=1S/C15H14N2O4S/c1-11-3-2-10-16-15(11)17-22(20,21)13-7-4-12(5-8-13)6-9-14(18)19/h2-10H,1H3,(H,16,17)(H,18,19)/b9-6+
InChIKeyJNTADSAFRNVCAA-RMKNXTFCSA-N
MW318.35 g/mol
LogP2.29
Rot. Bonds5

About (E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid

(E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid (PubChem CID 6217942) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is (E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid
PubChem CID6217942
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name(E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid
SMILESCc1cccnc1NS(=O)(=O)c1ccc(/C=C/C(=O)O)cc1
InChIInChI=1S/C15H14N2O4S/c1-11-3-2-10-16-15(11)17-22(20,21)13-7-4-12(5-8-13)6-9-14(18)19/h2-10H,1H3,(H,16,17)(H,18,19)/b9-6+
InChIKeyJNTADSAFRNVCAA-RMKNXTFCSA-N
XLogP2.29
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19423365
(E)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 5344094
4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 3792615
3-[4-[(5-carbamoyl-1H-imidazol-4-yl)sulfamoyl]phenyl]prop-2-enoic acid
CID 154759685
4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 60822489
4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 43095409
(E)-3-[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]prop-2-enoic acid
CID 22986806
4-(3-hydroxy-3-methylbut-1-ynyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 18758689
2-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]ethanethioamide
CID 79186142
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4844260
3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019636
(E)-3-(4-hydroxyphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 84553243

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid (CID 6217942) is (E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid is Cc1cccnc1NS(=O)(=O)c1ccc(/C=C/C(=O)O)cc1.
What is the InChIKey of (E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid?
The InChIKey is JNTADSAFRNVCAA-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-11-3-2-10-16-15(11)17-22(20,21)13-7-4-12(5-8-13)6-9-14(18)19/h2-10H,1H3,(H,16,17)(H,18,19)/b9-6+.
What are the key properties of (E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid?
(E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid has a molecular weight of 318.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 6217942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).