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

C13H15ClN2O3S — CID 61125291

IUPAC4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(N)cc2Cl)o1
InChIInChI=1S/C13H15ClN2O3S/c1-8-3-5-12(19-8)9(2)16-20(17,18)13-6-4-10(15)7-11(13)14/h3-7,9,16H,15H2,1-2H3
InChIKeyVLSJIGPCZFQOGK-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.86
Rot. Bonds4

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

4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (PubChem CID 61125291) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
PubChem CID61125291
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(N)cc2Cl)o1
InChIInChI=1S/C13H15ClN2O3S/c1-8-3-5-12(19-8)9(2)16-20(17,18)13-6-4-10(15)7-11(13)14/h3-7,9,16H,15H2,1-2H3
InChIKeyVLSJIGPCZFQOGK-UHFFFAOYSA-N
XLogP2.86
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126824
5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126243
2-chloro-4-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 103988889
4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126627
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 43535601
3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 43025926
3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 106611673
4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523987
2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine
CID 61476589
4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372042
methyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate
CID 35311484
5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide
CID 103286871

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (CID 61125291) is 4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2ccc(N)cc2Cl)o1.
What is the InChIKey of 4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The InChIKey is VLSJIGPCZFQOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-8-3-5-12(19-8)9(2)16-20(17,18)13-6-4-10(15)7-11(13)14/h3-7,9,16H,15H2,1-2H3.
What are the key properties of 4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide has a molecular weight of 314.79 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61125291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).