2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide

C13H13Cl2NO3S — CID 86952203

IUPAC2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)o1
InChIInChI=1S/C13H13Cl2NO3S/c1-8-5-10(9(2)19-8)7-16-20(17,18)13-6-11(14)3-4-12(13)15/h3-6,16H,7H2,1-2H3
InChIKeyRAAACUHYUVWNLR-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.68
Rot. Bonds4

About 2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide

2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide (PubChem CID 86952203) has the molecular formula C13H13Cl2NO3S and a molecular weight of 334.22 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide
PubChem CID86952203
Molecular FormulaC13H13Cl2NO3S
Molecular Weight334.22 g/mol
Exact Mass333.00
IUPAC Name2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)o1
InChIInChI=1S/C13H13Cl2NO3S/c1-8-5-10(9(2)19-8)7-16-20(17,18)13-6-11(14)3-4-12(13)15/h3-6,16H,7H2,1-2H3
InChIKeyRAAACUHYUVWNLR-UHFFFAOYSA-N
XLogP3.68
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
N-[(4-aminophenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43604538
N-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 90536200
[4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191359
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 90536208
N-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide
CID 90536150
2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 17248785
N-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43550315
2-amino-5-chloro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522972
2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 47137013
2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190612
methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 56765592

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide (CID 86952203) is 2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide is Cc1cc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)o1.
What is the InChIKey of 2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide?
The InChIKey is RAAACUHYUVWNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3S/c1-8-5-10(9(2)19-8)7-16-20(17,18)13-6-11(14)3-4-12(13)15/h3-6,16H,7H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide?
2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide has a molecular weight of 334.22 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 86952203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).