N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide

C15H17NO4S — CID 60873627

IUPACN-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NC(C)c2ccco2)c1
InChIInChI=1S/C15H17NO4S/c1-3-14(17)12-6-4-7-13(10-12)21(18,19)16-11(2)15-8-5-9-20-15/h4-11,16H,3H2,1-2H3
InChIKeyBQFYPGXALURUDE-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.91
Rot. Bonds6

About N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide

N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide (PubChem CID 60873627) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
PubChem CID60873627
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NC(C)c2ccco2)c1
InChIInChI=1S/C15H17NO4S/c1-3-14(17)12-6-4-7-13(10-12)21(18,19)16-11(2)15-8-5-9-20-15/h4-11,16H,3H2,1-2H3
InChIKeyBQFYPGXALURUDE-UHFFFAOYSA-N
XLogP2.91
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentan-2-yl-3-propanoylbenzenesulfonamide
CID 60872867
N-hexan-2-yl-3-propanoylbenzenesulfonamide
CID 62200821
3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854212
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485
N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 60873458
N-(2-methylbutyl)-3-propanoylbenzenesulfonamide
CID 62691641
3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817807
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 62147659
N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide
CID 115282992
N-(2-methylsulfanylpropyl)-3-propanoylbenzenesulfonamide
CID 115756365
3-propanoyl-N-(2,2,3-trimethylbutyl)benzenesulfonamide
CID 102609392

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide (CID 60873627) is N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)NC(C)c2ccco2)c1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide?
The InChIKey is BQFYPGXALURUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-3-14(17)12-6-4-7-13(10-12)21(18,19)16-11(2)15-8-5-9-20-15/h4-11,16H,3H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide?
N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 60873627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).