4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzenesulfonamide

C17H14N2O3S2 — CID 163347265

IUPAC4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCc2ccc(-c3ccco3)s2)cc1
InChIInChI=1S/C17H14N2O3S2/c18-12-13-3-6-15(7-4-13)24(20,21)19-10-9-14-5-8-17(23-14)16-2-1-11-22-16/h1-8,11,19H,9-10H2
InChIKeyYMIZCRGPJHRREI-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.40
Rot. Bonds6

About 4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzenesulfonamide

4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzenesulfonamide (PubChem CID 163347265) has the molecular formula C17H14N2O3S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzenesulfonamide
PubChem CID163347265
Molecular FormulaC17H14N2O3S2
Molecular Weight358.44 g/mol
Exact Mass358.04
IUPAC Name4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCc2ccc(-c3ccco3)s2)cc1
InChIInChI=1S/C17H14N2O3S2/c18-12-13-3-6-15(7-4-13)24(20,21)19-10-9-14-5-8-17(23-14)16-2-1-11-22-16/h1-8,11,19H,9-10H2
InChIKeyYMIZCRGPJHRREI-UHFFFAOYSA-N
XLogP3.40
TPSA83.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzamide
CID 163347198
N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 163350050
1-(3-chlorophenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]methanesulfonamide
CID 163350083
5-(furan-2-yl)thiophene-2-carbonitrile
CID 57377058
4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 60602634
N-(3-chloropropyl)-4-cyanobenzenesulfonamide
CID 43133775
N-butyl-4-cyanobenzenesulfonamide
CID 3555489
N-[2-[5-[2-(furan-2-yl)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 25487674
5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide
CID 26947458
4-cyano-N-pent-4-ynylbenzenesulfonamide
CID 103698045
1-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-3-thiophen-2-ylurea
CID 163347249
N-(2-tert-butylsulfanylethyl)-4-cyanobenzenesulfonamide
CID 2805758

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzenesulfonamide (CID 163347265) is 4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCCc2ccc(-c3ccco3)s2)cc1.
What is the InChIKey of 4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzenesulfonamide?
The InChIKey is YMIZCRGPJHRREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S2/c18-12-13-3-6-15(7-4-13)24(20,21)19-10-9-14-5-8-17(23-14)16-2-1-11-22-16/h1-8,11,19H,9-10H2.
What are the key properties of 4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzenesulfonamide?
4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzenesulfonamide has a molecular weight of 358.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 163347265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).