5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

C13H14BrFN2O3S — CID 116529898

IUPAC5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1cc(N)c(Br)cc1F
InChIInChI=1S/C13H14BrFN2O3S/c1-2-17(8-9-4-3-5-20-9)21(18,19)13-7-12(16)10(14)6-11(13)15/h3-7H,2,8,16H2,1H3
InChIKeyNRQBMVOWSUOKMB-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.97
Rot. Bonds5

About 5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 116529898) has the molecular formula C13H14BrFN2O3S and a molecular weight of 377.24 g/mol. Its IUPAC name is 5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID116529898
Molecular FormulaC13H14BrFN2O3S
Molecular Weight377.24 g/mol
Exact Mass375.99
IUPAC Name5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1cc(N)c(Br)cc1F
InChIInChI=1S/C13H14BrFN2O3S/c1-2-17(8-9-4-3-5-20-9)21(18,19)13-7-12(16)10(14)6-11(13)15/h3-7H,2,8,16H2,1H3
InChIKeyNRQBMVOWSUOKMB-UHFFFAOYSA-N
XLogP2.97
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.97
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

2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61106070
4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 61107370
5-amino-4-bromo-N-[3-(dimethylamino)propyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 102990980
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124
4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106996772
5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide
CID 29269932
5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61113928
3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide
CID 61105127
5-amino-4-bromo-2-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 116529864
4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 65480815
2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 62057282
3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61423669

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (CID 116529898) is 5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is CCN(Cc1ccco1)S(=O)(=O)c1cc(N)c(Br)cc1F.
What is the InChIKey of 5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is NRQBMVOWSUOKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O3S/c1-2-17(8-9-4-3-5-20-9)21(18,19)13-7-12(16)10(14)6-11(13)15/h3-7H,2,8,16H2,1H3.
What are the key properties of 5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 377.24 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 116529898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).