(E)-3-(2-chloro-6-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide

C19H15ClFN3O4S — CID 1293953

IUPAC(E)-3-(2-chloro-6-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3c(F)cccc3Cl)cc2)no1
InChIInChI=1S/C19H15ClFN3O4S/c1-12-11-18(23-28-12)24-29(26,27)14-7-5-13(6-8-14)22-19(25)10-9-15-16(20)3-2-4-17(15)21/h2-11H,1H3,(H,22,25)(H,23,24)/b10-9+
InChIKeyJCGPIGSDDCMUKR-MDZDMXLPSA-N
MW435.86 g/mol
LogP4.23
Rot. Bonds6

About (E)-3-(2-chloro-6-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide

(E)-3-(2-chloro-6-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 1293953) has the molecular formula C19H15ClFN3O4S and a molecular weight of 435.86 g/mol. Its IUPAC name is (E)-3-(2-chloro-6-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloro-6-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID1293953
Molecular FormulaC19H15ClFN3O4S
Molecular Weight435.86 g/mol
Exact Mass435.05
IUPAC Name(E)-3-(2-chloro-6-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3c(F)cccc3Cl)cc2)no1
InChIInChI=1S/C19H15ClFN3O4S/c1-12-11-18(23-28-12)24-29(26,27)14-7-5-13(6-8-14)22-19(25)10-9-15-16(20)3-2-4-17(15)21/h2-11H,1H3,(H,22,25)(H,23,24)/b10-9+
InChIKeyJCGPIGSDDCMUKR-MDZDMXLPSA-N
XLogP4.23
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.86
LogP ≤ 54.23
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-(2-chloro-6-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chloro-6-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide (CID 1293953) is (E)-3-(2-chloro-6-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloro-6-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloro-6-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3c(F)cccc3Cl)cc2)no1.
What is the InChIKey of (E)-3-(2-chloro-6-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is JCGPIGSDDCMUKR-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H15ClFN3O4S/c1-12-11-18(23-28-12)24-29(26,27)14-7-5-13(6-8-14)22-19(25)10-9-15-16(20)3-2-4-17(15)21/h2-11H,1H3,(H,22,25)(H,23,24)/b10-9+.
What are the key properties of (E)-3-(2-chloro-6-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide?
(E)-3-(2-chloro-6-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 435.86 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloro-6-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 1293953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).