2-(3-aminoprop-1-ynyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide

C15H16N2O3S — CID 60845519

IUPAC2-(3-aminoprop-1-ynyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1ccccc1C#CCN
InChIInChI=1S/C15H16N2O3S/c1-17(12-14-8-5-11-20-14)21(18,19)15-9-3-2-6-13(15)7-4-10-16/h2-3,5-6,8-9,11H,10,12,16H2,1H3
InChIKeyHAVRAMSIWAZCPK-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.41
Rot. Bonds4

About 2-(3-aminoprop-1-ynyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide

2-(3-aminoprop-1-ynyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide (PubChem CID 60845519) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
PubChem CID60845519
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-(3-aminoprop-1-ynyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1ccccc1C#CCN
InChIInChI=1S/C15H16N2O3S/c1-17(12-14-8-5-11-20-14)21(18,19)15-9-3-2-6-13(15)7-4-10-16/h2-3,5-6,8-9,11H,10,12,16H2,1H3
InChIKeyHAVRAMSIWAZCPK-UHFFFAOYSA-N
XLogP1.41
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminoprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891603
2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 62057282
2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide
CID 43526688
2-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61455868
2-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylbenzenesulfonamide
CID 63228327
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 54888480
N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929638
4-amino-2-bromo-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526690
N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-methylethanesulfonamide
CID 54966428
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937948
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide (CID 60845519) is 2-(3-aminoprop-1-ynyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide is CN(Cc1ccco1)S(=O)(=O)c1ccccc1C#CCN.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is HAVRAMSIWAZCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-17(12-14-8-5-11-20-14)21(18,19)15-9-3-2-6-13(15)7-4-10-16/h2-3,5-6,8-9,11H,10,12,16H2,1H3.
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
2-(3-aminoprop-1-ynyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 60845519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).