N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide

C13H14ClNO4S — CID 110732049

IUPACN-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(Cl)o2)c(C)c1
InChIInChI=1S/C13H14ClNO4S/c1-9-7-10(18-2)3-5-12(9)20(16,17)15-8-11-4-6-13(14)19-11/h3-7,15H,8H2,1-2H3
InChIKeyDFCBUOCJODTKMM-UHFFFAOYSA-N
MW315.78 g/mol
LogP2.73
Rot. Bonds5

About N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide

N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 110732049) has the molecular formula C13H14ClNO4S and a molecular weight of 315.78 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID110732049
Molecular FormulaC13H14ClNO4S
Molecular Weight315.78 g/mol
Exact Mass315.03
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(Cl)o2)c(C)c1
InChIInChI=1S/C13H14ClNO4S/c1-9-7-10(18-2)3-5-12(9)20(16,17)15-8-11-4-6-13(14)19-11/h3-7,15H,8H2,1-2H3
InChIKeyDFCBUOCJODTKMM-UHFFFAOYSA-N
XLogP2.73
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
4-methoxy-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
CID 126821555
N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110781066
4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736436
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113103104
4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110642092
4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 47319452
N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide
CID 112501874
4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide
CID 154741903
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 110787119
4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785308
N-[(5-chlorofuran-2-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 110732059

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide (CID 110732049) is N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(Cl)o2)c(C)c1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is DFCBUOCJODTKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4S/c1-9-7-10(18-2)3-5-12(9)20(16,17)15-8-11-4-6-13(14)19-11/h3-7,15H,8H2,1-2H3.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 315.78 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 110732049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).