5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide

C11H8BrF2NO2S2 — CID 3745501

IUPAC5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)c(F)c1)c1ccc(Br)s1
InChIInChI=1S/C11H8BrF2NO2S2/c12-10-3-4-11(18-10)19(16,17)15-6-7-1-2-8(13)9(14)5-7/h1-5,15H,6H2
InChIKeyLOZHATXBVLJIHE-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.27
Rot. Bonds4

About 5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide

5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 3745501) has the molecular formula C11H8BrF2NO2S2 and a molecular weight of 368.22 g/mol. Its IUPAC name is 5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID3745501
Molecular FormulaC11H8BrF2NO2S2
Molecular Weight368.22 g/mol
Exact Mass366.91
IUPAC Name5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)c(F)c1)c1ccc(Br)s1
InChIInChI=1S/C11H8BrF2NO2S2/c12-10-3-4-11(18-10)19(16,17)15-6-7-1-2-8(13)9(14)5-7/h1-5,15H,6H2
InChIKeyLOZHATXBVLJIHE-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106052050
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 54903909
5-bromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 6737105
5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide
CID 3714744
4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 106052083
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 62305247
5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide
CID 103940604
N-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 60744264
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 86870469
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 86984257
5-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-sulfonamide
CID 67086102

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide (CID 3745501) is 5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccc(F)c(F)c1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is LOZHATXBVLJIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2NO2S2/c12-10-3-4-11(18-10)19(16,17)15-6-7-1-2-8(13)9(14)5-7/h1-5,15H,6H2.
What are the key properties of 5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide?
5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 368.22 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3745501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).