4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide

C14H15N3O3S — CID 61126627

IUPAC4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(N)cc2C#N)o1
InChIInChI=1S/C14H15N3O3S/c1-9-3-5-13(20-9)10(2)17-21(18,19)14-6-4-12(16)7-11(14)8-15/h3-7,10,17H,16H2,1-2H3
InChIKeyKBDXWJRTQYSOJY-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.08
Rot. Bonds4

About 4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide

4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (PubChem CID 61126627) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
PubChem CID61126627
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(N)cc2C#N)o1
InChIInChI=1S/C14H15N3O3S/c1-9-3-5-13(20-9)10(2)17-21(18,19)14-6-4-12(16)7-11(14)8-15/h3-7,10,17H,16H2,1-2H3
InChIKeyKBDXWJRTQYSOJY-UHFFFAOYSA-N
XLogP2.08
TPSA109.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-2,5-dimethylfuran-3-sulfonamide
CID 75509030
N-[(R)-cyano(furan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 94285066
N-[cyano(furan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 101841231
N-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 134946791
4-fluoro-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 43047641
4-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081212
4-amino-2,6-difluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 60985944
2-amino-4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61125101
3-amino-4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61125482
5-amino-2,4-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61125860
5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126243
4-amino-2,6-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61127834

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (CID 61126627) is 4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2ccc(N)cc2C#N)o1.
What is the InChIKey of 4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The InChIKey is KBDXWJRTQYSOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-3-5-13(20-9)10(2)17-21(18,19)14-6-4-12(16)7-11(14)8-15/h3-7,10,17H,16H2,1-2H3.
What are the key properties of 4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61126627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).