2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide

C11H10BrFN2O2S2 — CID 61127561

IUPAC2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)NCc1ccc(Br)s1
InChIInChI=1S/C11H10BrFN2O2S2/c12-11-4-2-8(18-11)6-15-19(16,17)10-3-1-7(13)5-9(10)14/h1-5,15H,6,14H2
InChIKeyBHWQOPMSPPQTAN-UHFFFAOYSA-N
MW365.25 g/mol
LogP2.71
Rot. Bonds4

About 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide

2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 61127561) has the molecular formula C11H10BrFN2O2S2 and a molecular weight of 365.25 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
PubChem CID61127561
Molecular FormulaC11H10BrFN2O2S2
Molecular Weight365.25 g/mol
Exact Mass363.94
IUPAC Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)NCc1ccc(Br)s1
InChIInChI=1S/C11H10BrFN2O2S2/c12-11-4-2-8(18-11)6-15-19(16,17)10-3-1-7(13)5-9(10)14/h1-5,15H,6,14H2
InChIKeyBHWQOPMSPPQTAN-UHFFFAOYSA-N
XLogP2.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 106035109
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106006794
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide
CID 64899350
N-[(5-bromothiophen-2-yl)methyl]-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
CID 102920829
4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide
CID 61127357
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79962051
3-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methylbenzenesulfonamide
CID 61127962
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 61128154
2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide
CID 61111572
5-bromo-4-[(5-bromothiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61012975
5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106006764
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106369275

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide (CID 61127561) is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide is Nc1cc(F)ccc1S(=O)(=O)NCc1ccc(Br)s1.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is BHWQOPMSPPQTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O2S2/c12-11-4-2-8(18-11)6-15-19(16,17)10-3-1-7(13)5-9(10)14/h1-5,15H,6,14H2.
What are the key properties of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide?
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 365.25 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 61127561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).