N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide

C15H13ClN2O4S — CID 53085828

IUPACN-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)o2)on1
InChIInChI=1S/C15H13ClN2O4S/c1-9-3-4-11(8-12(9)16)18-23(19,20)15-6-5-13(21-15)14-7-10(2)17-22-14/h3-8,18H,1-2H3
InChIKeyQWKAOQGAMXFZGK-UHFFFAOYSA-N
MW352.80 g/mol
LogP4.01
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide

N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide (PubChem CID 53085828) has the molecular formula C15H13ClN2O4S and a molecular weight of 352.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
PubChem CID53085828
Molecular FormulaC15H13ClN2O4S
Molecular Weight352.80 g/mol
Exact Mass352.03
IUPAC NameN-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)o2)on1
InChIInChI=1S/C15H13ClN2O4S/c1-9-3-4-11(8-12(9)16)18-23(19,20)15-6-5-13(21-15)14-7-10(2)17-22-14/h3-8,18H,1-2H3
InChIKeyQWKAOQGAMXFZGK-UHFFFAOYSA-N
XLogP4.01
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide (CID 53085828) is N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)o2)on1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
The InChIKey is QWKAOQGAMXFZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4S/c1-9-3-4-11(8-12(9)16)18-23(19,20)15-6-5-13(21-15)14-7-10(2)17-22-14/h3-8,18H,1-2H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide has a molecular weight of 352.80 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide is sourced from PubChem (CID 53085828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).