5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide

C14H19N3O3S — CID 103286859

IUPAC5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NC(C)Cc1ccco1
InChIInChI=1S/C14H19N3O3S/c1-10(8-12-4-3-7-20-12)17-13-6-5-11(15)9-14(13)21(18,19)16-2/h3-7,9-10,16-17H,8,15H2,1-2H3
InChIKeyFRTOOSDYJOMPLV-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.81
Rot. Bonds6

About 5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide

5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide (PubChem CID 103286859) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide
PubChem CID103286859
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NC(C)Cc1ccco1
InChIInChI=1S/C14H19N3O3S/c1-10(8-12-4-3-7-20-12)17-13-6-5-11(15)9-14(13)21(18,19)16-2/h3-7,9-10,16-17H,8,15H2,1-2H3
InChIKeyFRTOOSDYJOMPLV-UHFFFAOYSA-N
XLogP1.81
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 82907696
3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 63085665
5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide
CID 103286871
3-amino-4-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 61471368
3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide
CID 63085133
2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide
CID 103286872
2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 61126634
N-[2-[1-(furan-2-yl)propan-2-ylamino]phenyl]methanesulfonamide
CID 63085132
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63356356
4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine
CID 61469609
4-bromo-5-fluoro-2-N-[1-(furan-2-yl)propan-2-yl]benzene-1,2-diamine
CID 116735654

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide (CID 103286859) is 5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1NC(C)Cc1ccco1.
What is the InChIKey of 5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide?
The InChIKey is FRTOOSDYJOMPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10(8-12-4-3-7-20-12)17-13-6-5-11(15)9-14(13)21(18,19)16-2/h3-7,9-10,16-17H,8,15H2,1-2H3.
What are the key properties of 5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide?
5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 103286859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).