3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide

C13H13Cl2NO3S — CID 43025926

IUPAC3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C13H13Cl2NO3S/c1-8-3-4-13(19-8)9(2)16-20(17,18)12-6-10(14)5-11(15)7-12/h3-7,9,16H,1-2H3
InChIKeySJSBFXQZGDGWOC-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.93
Rot. Bonds4

About 3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide

3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (PubChem CID 43025926) has the molecular formula C13H13Cl2NO3S and a molecular weight of 334.22 g/mol. Its IUPAC name is 3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
PubChem CID43025926
Molecular FormulaC13H13Cl2NO3S
Molecular Weight334.22 g/mol
Exact Mass333.00
IUPAC Name3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C13H13Cl2NO3S/c1-8-3-4-13(19-8)9(2)16-20(17,18)12-6-10(14)5-11(15)7-12/h3-7,9,16H,1-2H3
InChIKeySJSBFXQZGDGWOC-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 106611673
4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 60652418
4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61125291
5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide
CID 29355029
2-chloro-4-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 103988889
4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126824
3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 30964155
5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126243
methyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate
CID 35311484
2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 47109896
3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25042571
1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide
CID 83084663

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (CID 43025926) is 3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of 3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The InChIKey is SJSBFXQZGDGWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3S/c1-8-3-4-13(19-8)9(2)16-20(17,18)12-6-10(14)5-11(15)7-12/h3-7,9,16H,1-2H3.
What are the key properties of 3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide has a molecular weight of 334.22 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 43025926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).