2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide

C13H13Cl2NO3S — CID 90558451

IUPAC2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ccoc2)c(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2NO3S/c1-9-6-13(12(15)7-11(9)14)20(17,18)16-4-2-10-3-5-19-8-10/h3,5-8,16H,2,4H2,1H3
InChIKeyPXUWZVYDNFJUJN-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.42
Rot. Bonds5

About 2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide

2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide (PubChem CID 90558451) has the molecular formula C13H13Cl2NO3S and a molecular weight of 334.22 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide
PubChem CID90558451
Molecular FormulaC13H13Cl2NO3S
Molecular Weight334.22 g/mol
Exact Mass333.00
IUPAC Name2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ccoc2)c(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2NO3S/c1-9-6-13(12(15)7-11(9)14)20(17,18)16-4-2-10-3-5-19-8-10/h3,5-8,16H,2,4H2,1H3
InChIKeyPXUWZVYDNFJUJN-UHFFFAOYSA-N
XLogP3.42
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide
CID 99873228
N-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 90558429
4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 3790089
4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 3747457
N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide
CID 90558454
4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 19680922
2,4-dichloro-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide
CID 100723482
N-but-3-ynyl-2,4-dichloro-5-methylbenzenesulfonamide
CID 56765741
2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide
CID 59079350
2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 25041194
2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 19680921
2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide
CID 3830031

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide (CID 90558451) is 2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCc2ccoc2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide?
The InChIKey is PXUWZVYDNFJUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3S/c1-9-6-13(12(15)7-11(9)14)20(17,18)16-4-2-10-3-5-19-8-10/h3,5-8,16H,2,4H2,1H3.
What are the key properties of 2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide?
2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide has a molecular weight of 334.22 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 90558451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).