5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide

C12H12BrFN2O2S2 — CID 106083113

IUPAC5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide
SMILESCc1cc(Br)c(F)cc1NS(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C12H12BrFN2O2S2/c1-7-2-10(13)11(14)4-12(7)16-20(17,18)9-3-8(5-15)19-6-9/h2-4,6,16H,5,15H2,1H3
InChIKeyOLVHSGQQFUKPJU-UHFFFAOYSA-N
MW379.28 g/mol
LogP3.22
Rot. Bonds4

About 5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide

5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide (PubChem CID 106083113) has the molecular formula C12H12BrFN2O2S2 and a molecular weight of 379.28 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide
PubChem CID106083113
Molecular FormulaC12H12BrFN2O2S2
Molecular Weight379.28 g/mol
Exact Mass377.95
IUPAC Name5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide
SMILESCc1cc(Br)c(F)cc1NS(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C12H12BrFN2O2S2/c1-7-2-10(13)11(14)4-12(7)16-20(17,18)9-3-8(5-15)19-6-9/h2-4,6,16H,5,15H2,1H3
InChIKeyOLVHSGQQFUKPJU-UHFFFAOYSA-N
XLogP3.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2,5-difluoro-4-methylphenyl)thiophene-3-sulfonamide
CID 106087283
5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide
CID 106057499
5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106001955
5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide
CID 106061159
5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide
CID 106058021
5-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106088832
5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide
CID 106058867
5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030161
3-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 107590901
5-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)thiophene-3-sulfonamide
CID 106030415
5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide
CID 106067006
3-amino-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590908

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide (CID 106083113) is 5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide is Cc1cc(Br)c(F)cc1NS(=O)(=O)c1csc(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide?
The InChIKey is OLVHSGQQFUKPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O2S2/c1-7-2-10(13)11(14)4-12(7)16-20(17,18)9-3-8(5-15)19-6-9/h2-4,6,16H,5,15H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide?
5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide has a molecular weight of 379.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106083113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).