3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-2-sulfonamide

C11H8BrClFNO2S2 — CID 55086258

IUPAC3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)c(Cl)c1)c1sccc1Br
InChIInChI=1S/C11H8BrClFNO2S2/c12-8-3-4-18-11(8)19(16,17)15-6-7-1-2-10(14)9(13)5-7/h1-5,15H,6H2
InChIKeyMFTDVKHAQAXDGC-UHFFFAOYSA-N
MW384.68 g/mol
LogP3.78
Rot. Bonds4

About 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-2-sulfonamide

3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 55086258) has the molecular formula C11H8BrClFNO2S2 and a molecular weight of 384.68 g/mol. Its IUPAC name is 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID55086258
Molecular FormulaC11H8BrClFNO2S2
Molecular Weight384.68 g/mol
Exact Mass382.89
IUPAC Name3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)c(Cl)c1)c1sccc1Br
InChIInChI=1S/C11H8BrClFNO2S2/c12-8-3-4-18-11(8)19(16,17)15-6-7-1-2-10(14)9(13)5-7/h1-5,15H,6H2
InChIKeyMFTDVKHAQAXDGC-UHFFFAOYSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.68
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 61063460
3-bromo-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 61072677
N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 3752569
3-bromo-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61073398
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 62537779
3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide
CID 115588809
3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide
CID 87032497
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
3-amino-4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 62539057
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-5-fluorobenzenesulfonamide
CID 63322498
4-amino-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 115330027
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-2-sulfonamide (CID 55086258) is 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccc(F)c(Cl)c1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is MFTDVKHAQAXDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNO2S2/c12-8-3-4-18-11(8)19(16,17)15-6-7-1-2-10(14)9(13)5-7/h1-5,15H,6H2.
What are the key properties of 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-2-sulfonamide?
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 384.68 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55086258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).