3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide

C13H13BrClNO3S — CID 106611673

IUPAC3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(Cl)c(Br)c2)o1
InChIInChI=1S/C13H13BrClNO3S/c1-8-3-6-13(19-8)9(2)16-20(17,18)10-4-5-12(15)11(14)7-10/h3-7,9,16H,1-2H3
InChIKeyRLBGVISUYDKXIX-UHFFFAOYSA-N
MW378.68 g/mol
LogP4.04
Rot. Bonds4

About 3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide

3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (PubChem CID 106611673) has the molecular formula C13H13BrClNO3S and a molecular weight of 378.68 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
PubChem CID106611673
Molecular FormulaC13H13BrClNO3S
Molecular Weight378.68 g/mol
Exact Mass376.95
IUPAC Name3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(Cl)c(Br)c2)o1
InChIInChI=1S/C13H13BrClNO3S/c1-8-3-6-13(19-8)9(2)16-20(17,18)10-4-5-12(15)11(14)7-10/h3-7,9,16H,1-2H3
InChIKeyRLBGVISUYDKXIX-UHFFFAOYSA-N
XLogP4.04
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.68
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 30964155
3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 43025926
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
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
2-chloro-4-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 103988889
3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 106546351
methyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate
CID 35311484
5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide
CID 29355029
3-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-chlorobenzenesulfonamide
CID 106613118
4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126824
3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide
CID 106546751

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (CID 106611673) is 3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2ccc(Cl)c(Br)c2)o1.
What is the InChIKey of 3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The InChIKey is RLBGVISUYDKXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO3S/c1-8-3-6-13(19-8)9(2)16-20(17,18)10-4-5-12(15)11(14)7-10/h3-7,9,16H,1-2H3.
What are the key properties of 3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide has a molecular weight of 378.68 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106611673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).