2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide

C13H15ClN2O3S — CID 61126634

IUPAC2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1ccco1)NS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H15ClN2O3S/c1-9(7-11-3-2-6-19-11)16-20(17,18)13-5-4-10(14)8-12(13)15/h2-6,8-9,16H,7,15H2,1H3
InChIKeyUHZMFBMLVLJUFA-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.42
Rot. Bonds5

About 2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide

2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide (PubChem CID 61126634) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
PubChem CID61126634
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1ccco1)NS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H15ClN2O3S/c1-9(7-11-3-2-6-19-11)16-20(17,18)13-5-4-10(14)8-12(13)15/h2-6,8-9,16H,7,15H2,1H3
InChIKeyUHZMFBMLVLJUFA-UHFFFAOYSA-N
XLogP2.42
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.42
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

2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28555278
4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 116528376
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
CID 43107543
2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide
CID 61051425
3-(aminomethyl)-4-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 63288766
3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide
CID 97020376
N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81258780
4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 60959654
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471974
N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide
CID 61470755
2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide
CID 114414759
5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide
CID 103286859

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide (CID 61126634) is 2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide is CC(Cc1ccco1)NS(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is UHZMFBMLVLJUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-9(7-11-3-2-6-19-11)16-20(17,18)13-5-4-10(14)8-12(13)15/h2-6,8-9,16H,7,15H2,1H3.
What are the key properties of 2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide?
2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 314.79 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 61126634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).