3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide

C15H15BrN2O3S2 — CID 166428996

IUPAC3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide
SMILESCC1(C)CN(c2ccccc2NS(=O)(=O)c2sccc2Br)C1=O
InChIInChI=1S/C15H15BrN2O3S2/c1-15(2)9-18(14(15)19)12-6-4-3-5-11(12)17-23(20,21)13-10(16)7-8-22-13/h3-8,17H,9H2,1-2H3
InChIKeyAZYQABZUBLKOJS-UHFFFAOYSA-N
MW415.33 g/mol
LogP3.68
Rot. Bonds4

About 3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide

3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 166428996) has the molecular formula C15H15BrN2O3S2 and a molecular weight of 415.33 g/mol. Its IUPAC name is 3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide
PubChem CID166428996
Molecular FormulaC15H15BrN2O3S2
Molecular Weight415.33 g/mol
Exact Mass413.97
IUPAC Name3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide
SMILESCC1(C)CN(c2ccccc2NS(=O)(=O)c2sccc2Br)C1=O
InChIInChI=1S/C15H15BrN2O3S2/c1-15(2)9-18(14(15)19)12-6-4-3-5-11(12)17-23(20,21)13-10(16)7-8-22-13/h3-8,17H,9H2,1-2H3
InChIKeyAZYQABZUBLKOJS-UHFFFAOYSA-N
XLogP3.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide
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2-[2-[(3-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
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2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide
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CID 166428507
N-(4-amino-2-methylphenyl)-3-bromothiophene-2-sulfonamide
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3-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-2-sulfonamide
CID 107792932
3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 61456145
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-bromothiophene-2-sulfonamide
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3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide (CID 166428996) is 3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide is CC1(C)CN(c2ccccc2NS(=O)(=O)c2sccc2Br)C1=O.
What is the InChIKey of 3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is AZYQABZUBLKOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S2/c1-15(2)9-18(14(15)19)12-6-4-3-5-11(12)17-23(20,21)13-10(16)7-8-22-13/h3-8,17H,9H2,1-2H3.
What are the key properties of 3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide?
3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 415.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 166428996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).