N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide

C17H14FN3O4S — CID 18128241

IUPACN-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)on1
InChIInChI=1S/C17H14FN3O4S/c1-11-10-16(25-20-11)17(22)19-13-4-6-14(7-5-13)21-26(23,24)15-8-2-12(18)3-9-15/h2-10,21H,1H3,(H,19,22)
InChIKeyLAFZSJDKNQCLCL-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.18
Rot. Bonds5

About N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 18128241) has the molecular formula C17H14FN3O4S and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID18128241
Molecular FormulaC17H14FN3O4S
Molecular Weight375.38 g/mol
Exact Mass375.07
IUPAC NameN-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)on1
InChIInChI=1S/C17H14FN3O4S/c1-11-10-16(25-20-11)17(22)19-13-4-6-14(7-5-13)21-26(23,24)15-8-2-12(18)3-9-15/h2-10,21H,1H3,(H,19,22)
InChIKeyLAFZSJDKNQCLCL-UHFFFAOYSA-N
XLogP3.18
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 18128241) is N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)on1.
What is the InChIKey of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is LAFZSJDKNQCLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4S/c1-11-10-16(25-20-11)17(22)19-13-4-6-14(7-5-13)21-26(23,24)15-8-2-12(18)3-9-15/h2-10,21H,1H3,(H,19,22).
What are the key properties of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 18128241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).