3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide

C13H15BrN2O2S2 — CID 61458006

IUPAC3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide
SMILESCNC(C)c1cccc(NS(=O)(=O)c2sccc2Br)c1
InChIInChI=1S/C13H15BrN2O2S2/c1-9(15-2)10-4-3-5-11(8-10)16-20(17,18)13-12(14)6-7-19-13/h3-9,15-16H,1-2H3
InChIKeySFGBLUVCZBBGTK-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.59
Rot. Bonds5

About 3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide

3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide (PubChem CID 61458006) has the molecular formula C13H15BrN2O2S2 and a molecular weight of 375.31 g/mol. Its IUPAC name is 3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide
PubChem CID61458006
Molecular FormulaC13H15BrN2O2S2
Molecular Weight375.31 g/mol
Exact Mass373.98
IUPAC Name3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide
SMILESCNC(C)c1cccc(NS(=O)(=O)c2sccc2Br)c1
InChIInChI=1S/C13H15BrN2O2S2/c1-9(15-2)10-4-3-5-11(8-10)16-20(17,18)13-12(14)6-7-19-13/h3-9,15-16H,1-2H3
InChIKeySFGBLUVCZBBGTK-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide
CID 61062460
3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 61063599
3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 55119423
3-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 76904504
3-bromo-N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 61063460
3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide
CID 63997607
3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline
CID 114814952
3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide
CID 61061972
3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide
CID 61456011
1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide
CID 62063324
3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide
CID 54951923
3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 61063464

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide (CID 61458006) is 3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide is CNC(C)c1cccc(NS(=O)(=O)c2sccc2Br)c1.
What is the InChIKey of 3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is SFGBLUVCZBBGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S2/c1-9(15-2)10-4-3-5-11(8-10)16-20(17,18)13-12(14)6-7-19-13/h3-9,15-16H,1-2H3.
What are the key properties of 3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide?
3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 375.31 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61458006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).