2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide

C13H15BrN2O3S — CID 61106070

IUPAC2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C13H15BrN2O3S/c1-2-16(9-11-4-3-7-19-11)20(17,18)13-8-10(14)5-6-12(13)15/h3-8H,2,9,15H2,1H3
InChIKeyHWZJRZUMUCQCKQ-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.84
Rot. Bonds5

About 2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide

2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 61106070) has the molecular formula C13H15BrN2O3S and a molecular weight of 359.25 g/mol. Its IUPAC name is 2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID61106070
Molecular FormulaC13H15BrN2O3S
Molecular Weight359.25 g/mol
Exact Mass358.00
IUPAC Name2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C13H15BrN2O3S/c1-2-16(9-11-4-3-7-19-11)20(17,18)13-8-10(14)5-6-12(13)15/h3-8H,2,9,15H2,1H3
InChIKeyHWZJRZUMUCQCKQ-UHFFFAOYSA-N
XLogP2.84
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.84
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

5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 116529898
4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 61107370
2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61139950
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124
3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide
CID 61105127
4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106996772
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 54888480
4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 65480815
5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 30668627
3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61423669
2,4-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 60540684
5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 6618527

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide (CID 61106070) is 2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide is CCN(Cc1ccco1)S(=O)(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is HWZJRZUMUCQCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3S/c1-2-16(9-11-4-3-7-19-11)20(17,18)13-8-10(14)5-6-12(13)15/h3-8H,2,9,15H2,1H3.
What are the key properties of 2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide?
2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 359.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61106070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).