N-(2-chloro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide

C14H14ClNO4S — CID 2448073

IUPACN-(2-chloro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c(C)o1
InChIInChI=1S/C14H14ClNO4S/c1-8-6-11(9(2)20-8)14(17)16-13-7-10(21(3,18)19)4-5-12(13)15/h4-7H,1-3H3,(H,16,17)
InChIKeyDUDSYXZNRLCHKC-UHFFFAOYSA-N
MW327.79 g/mol
LogP3.21
Rot. Bonds3

About N-(2-chloro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide

N-(2-chloro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 2448073) has the molecular formula C14H14ClNO4S and a molecular weight of 327.79 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID2448073
Molecular FormulaC14H14ClNO4S
Molecular Weight327.79 g/mol
Exact Mass327.03
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c(C)o1
InChIInChI=1S/C14H14ClNO4S/c1-8-6-11(9(2)20-8)14(17)16-13-7-10(21(3,18)19)4-5-12(13)15/h4-7H,1-3H3,(H,16,17)
InChIKeyDUDSYXZNRLCHKC-UHFFFAOYSA-N
XLogP3.21
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-5-[(dimethylamino)sulfonyl]-2-methyl-3-furamide
CID 2810585
N-(2-chlorophenyl)-2-methylfuran-3-carboxamide
CID 874263
N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-carboxamide
CID 16648725
N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 168786276
N-(2-fluoro-5-methylsulfonylphenyl)furan-3-carboxamide
CID 25673041
N-(2-chloro-4-fluorophenyl)-2,5-dimethylfuran-3-carboxamide
CID 26364282
N-(2-fluoro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 31929709
N-(2-fluoro-5-methylsulfonylphenyl)-2-methylfuran-3-carboxamide
CID 33189106
N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-sulfamoylfuran-3-carboxamide
CID 45830589
N-(2-fluoro-5-sulfamoylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 61129803
N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 61132615
2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)furan-3-carboxamide
CID 106686015

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide (CID 2448073) is N-(2-chloro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c(C)o1.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is DUDSYXZNRLCHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4S/c1-8-6-11(9(2)20-8)14(17)16-13-7-10(21(3,18)19)4-5-12(13)15/h4-7H,1-3H3,(H,16,17).
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide?
N-(2-chloro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 327.79 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 2448073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).