5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide

C13H13BrFNO3S2 — CID 73168447

IUPAC5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(Br)s1)c1cccc(F)c1
InChIInChI=1S/C13H13BrFNO3S2/c1-19-11(9-3-2-4-10(15)7-9)8-16-21(17,18)13-6-5-12(14)20-13/h2-7,11,16H,8H2,1H3
InChIKeyFSKNNDZPHZOGSZ-UHFFFAOYSA-N
MW394.29 g/mol
LogP3.32
Rot. Bonds6

About 5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide

5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide (PubChem CID 73168447) has the molecular formula C13H13BrFNO3S2 and a molecular weight of 394.29 g/mol. Its IUPAC name is 5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
PubChem CID73168447
Molecular FormulaC13H13BrFNO3S2
Molecular Weight394.29 g/mol
Exact Mass392.95
IUPAC Name5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(Br)s1)c1cccc(F)c1
InChIInChI=1S/C13H13BrFNO3S2/c1-19-11(9-3-2-4-10(15)7-9)8-16-21(17,18)13-6-5-12(14)20-13/h2-7,11,16H,8H2,1H3
InChIKeyFSKNNDZPHZOGSZ-UHFFFAOYSA-N
XLogP3.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 55353993
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
CID 90623048
5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 97417531
4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
CID 73168435
N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide
CID 90623072
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
CID 90623112
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide
CID 90623062
(E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide
CID 73168430
5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide
CID 57018556
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614
2-(3-fluorophenyl)-2-methoxyethanesulfonic acid
CID 115040043
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 62305247

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide (CID 73168447) is 5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide is COC(CNS(=O)(=O)c1ccc(Br)s1)c1cccc(F)c1.
What is the InChIKey of 5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide?
The InChIKey is FSKNNDZPHZOGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO3S2/c1-19-11(9-3-2-4-10(15)7-9)8-16-21(17,18)13-6-5-12(14)20-13/h2-7,11,16H,8H2,1H3.
What are the key properties of 5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide has a molecular weight of 394.29 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 73168447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).