N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide

C11H8BrF2NO2S2 — CID 103844041

IUPACN-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)c(Br)cc2F)s1
InChIInChI=1S/C11H8BrF2NO2S2/c1-6-2-3-11(18-6)19(16,17)15-10-5-8(13)7(12)4-9(10)14/h2-5,15H,1H3
InChIKeyMTQRRQQWORVBEF-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.90
Rot. Bonds3

About N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide

N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide (PubChem CID 103844041) has the molecular formula C11H8BrF2NO2S2 and a molecular weight of 368.22 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide
PubChem CID103844041
Molecular FormulaC11H8BrF2NO2S2
Molecular Weight368.22 g/mol
Exact Mass366.91
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)c(Br)cc2F)s1
InChIInChI=1S/C11H8BrF2NO2S2/c1-6-2-3-11(18-6)19(16,17)15-10-5-8(13)7(12)4-9(10)14/h2-5,15H,1H3
InChIKeyMTQRRQQWORVBEF-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(4-bromo-2,5-difluorophenyl)thiophene-2-sulfonamide
CID 103844048
N-(2-fluoro-4-hydroxyphenyl)-5-methylthiophene-2-sulfonamide
CID 64786506
5-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106088832
5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8523278
5-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272038
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 47310946
2-amino-N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 107613618
N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide
CID 82708384
N-(3-chloro-4-fluorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191076
N-(4-amino-2-methylphenyl)-5-methylthiophene-2-sulfonamide
CID 28783297
N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
CID 43550425
N-(2-aminophenyl)-5-methylthiophene-2-sulfonamide
CID 28783373

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide (CID 103844041) is N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(F)c(Br)cc2F)s1.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide?
The InChIKey is MTQRRQQWORVBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2NO2S2/c1-6-2-3-11(18-6)19(16,17)15-10-5-8(13)7(12)4-9(10)14/h2-5,15H,1H3.
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide?
N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide has a molecular weight of 368.22 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103844041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).