4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide

C13H16N2O3S — CID 61105124

IUPAC4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H16N2O3S/c1-2-15(10-12-4-3-9-18-12)19(16,17)13-7-5-11(14)6-8-13/h3-9H,2,10,14H2,1H3
InChIKeyQXKCRNXMDYBICU-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.07
Rot. Bonds5

About 4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide

4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 61105124) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID61105124
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H16N2O3S/c1-2-15(10-12-4-3-9-18-12)19(16,17)13-7-5-11(14)6-8-13/h3-9H,2,10,14H2,1H3
InChIKeyQXKCRNXMDYBICU-UHFFFAOYSA-N
XLogP2.07
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 65480815
4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 61107370
3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61423669
3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide
CID 61105127
N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421940
2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61106070
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606165
5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 116529898
4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide
CID 61112191

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide (CID 61105124) is 4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide is CCN(Cc1ccco1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is QXKCRNXMDYBICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-2-15(10-12-4-3-9-18-12)19(16,17)13-7-5-11(14)6-8-13/h3-9H,2,10,14H2,1H3.
What are the key properties of 4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide?
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61105124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).