2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide

C13H14BrFN2O3S — CID 106491612

IUPAC2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
SMILESCc1occc1CN(C)S(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C13H14BrFN2O3S/c1-8-9(3-4-20-8)7-17(2)21(18,19)13-5-10(14)11(15)6-12(13)16/h3-6H,7,16H2,1-2H3
InChIKeyAHUDSILHQHAMQS-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.89
Rot. Bonds4

About 2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide

2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide (PubChem CID 106491612) has the molecular formula C13H14BrFN2O3S and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
PubChem CID106491612
Molecular FormulaC13H14BrFN2O3S
Molecular Weight377.24 g/mol
Exact Mass375.99
IUPAC Name2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
SMILESCc1occc1CN(C)S(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C13H14BrFN2O3S/c1-8-9(3-4-20-8)7-17(2)21(18,19)13-5-10(14)11(15)6-12(13)16/h3-6H,7,16H2,1-2H3
InChIKeyAHUDSILHQHAMQS-UHFFFAOYSA-N
XLogP2.89
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.89
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

3-amino-2,4-difluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 107343380
2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 47387654
2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide
CID 106491371
5-amino-3-chloro-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426187
5-amino-N,2,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426713
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106491921
4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426919
5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 47387662
2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 106491295
3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426284
5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
CID 79931229
3-amino-1-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-4-sulfonamide
CID 61426376

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide (CID 106491612) is 2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide is Cc1occc1CN(C)S(=O)(=O)c1cc(Br)c(F)cc1N.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The InChIKey is AHUDSILHQHAMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O3S/c1-8-9(3-4-20-8)7-17(2)21(18,19)13-5-10(14)11(15)6-12(13)16/h3-6H,7,16H2,1-2H3.
What are the key properties of 2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide has a molecular weight of 377.24 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106491612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).