(E)-3-(3-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide

C19H16ClN3O4S — CID 1312289

IUPAC(E)-3-(3-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc2)no1
InChIInChI=1S/C19H16ClN3O4S/c1-13-11-18(22-27-13)23-28(25,26)17-8-6-16(7-9-17)21-19(24)10-5-14-3-2-4-15(20)12-14/h2-12H,1H3,(H,21,24)(H,22,23)/b10-5+
InChIKeyGSPHDOMDBULHHY-BJMVGYQFSA-N
MW417.87 g/mol
LogP4.09
Rot. Bonds6

About (E)-3-(3-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide

(E)-3-(3-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 1312289) has the molecular formula C19H16ClN3O4S and a molecular weight of 417.87 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID1312289
Molecular FormulaC19H16ClN3O4S
Molecular Weight417.87 g/mol
Exact Mass417.06
IUPAC Name(E)-3-(3-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc2)no1
InChIInChI=1S/C19H16ClN3O4S/c1-13-11-18(22-27-13)23-28(25,26)17-8-6-16(7-9-17)21-19(24)10-5-14-3-2-4-15(20)12-14/h2-12H,1H3,(H,21,24)(H,22,23)/b10-5+
InChIKeyGSPHDOMDBULHHY-BJMVGYQFSA-N
XLogP4.09
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide (CID 1312289) is (E)-3-(3-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc2)no1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is GSPHDOMDBULHHY-BJMVGYQFSA-N. The full InChI is InChI=1S/C19H16ClN3O4S/c1-13-11-18(22-27-13)23-28(25,26)17-8-6-16(7-9-17)21-19(24)10-5-14-3-2-4-15(20)12-14/h2-12H,1H3,(H,21,24)(H,22,23)/b10-5+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 417.87 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 1312289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).