2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide

C14H15N3O3S — CID 61141132

IUPAC2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESN#CCCN(Cc1ccco1)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C14H15N3O3S/c15-8-4-9-17(11-12-5-3-10-20-12)21(18,19)14-7-2-1-6-13(14)16/h1-3,5-7,10H,4,9,11,16H2
InChIKeyYTVNMVPGBZUWLD-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.97
Rot. Bonds6

About 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide

2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 61141132) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID61141132
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESN#CCCN(Cc1ccco1)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C14H15N3O3S/c15-8-4-9-17(11-12-5-3-10-20-12)21(18,19)14-7-2-1-6-13(14)16/h1-3,5-7,10H,4,9,11,16H2
InChIKeyYTVNMVPGBZUWLD-UHFFFAOYSA-N
XLogP1.97
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 60594886
2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan
CID 112684205
2,4-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 60540684
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 60510056
2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid
CID 61458170
4-[furan-2-ylmethyl(methyl)amino]butanenitrile
CID 43396926
2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide
CID 65427998
2-amino-4-cyano-N,N-bis(2-cyanoethyl)benzenesulfonamide
CID 64898482
2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90495790
2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61106070
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide (CID 61141132) is 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide is N#CCCN(Cc1ccco1)S(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is YTVNMVPGBZUWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-8-4-9-17(11-12-5-3-10-20-12)21(18,19)14-7-2-1-6-13(14)16/h1-3,5-7,10H,4,9,11,16H2.
What are the key properties of 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61141132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).