N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide

C12H15BrN2O2S — CID 43597330

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2C3CNCC32)c(Br)c1
InChIInChI=1S/C12H15BrN2O2S/c1-7-2-3-11(10(13)4-7)18(16,17)15-12-8-5-14-6-9(8)12/h2-4,8-9,12,14-15H,5-6H2,1H3
InChIKeyFKCLGPCZNOZJKL-UHFFFAOYSA-N
MW331.24 g/mol
LogP1.25
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide (PubChem CID 43597330) has the molecular formula C12H15BrN2O2S and a molecular weight of 331.24 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide
PubChem CID43597330
Molecular FormulaC12H15BrN2O2S
Molecular Weight331.24 g/mol
Exact Mass330.00
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2C3CNCC32)c(Br)c1
InChIInChI=1S/C12H15BrN2O2S/c1-7-2-3-11(10(13)4-7)18(16,17)15-12-8-5-14-6-9(8)12/h2-4,8-9,12,14-15H,5-6H2,1H3
InChIKeyFKCLGPCZNOZJKL-UHFFFAOYSA-N
XLogP1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 55204708
2-bromo-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716767
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 43597451
2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 43417293
N-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide
CID 91647304
methyl 4-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)-5-bromothiophene-2-carboxylate
CID 43597381
2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide
CID 62066677
N-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide
CID 43597913
2-bromo-4-fluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 61142760
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 43597328
2-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115622947
2-bromo-N-(3-ethylpentan-3-yl)-4-methylbenzenesulfonamide
CID 65042425

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide (CID 43597330) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2C3CNCC32)c(Br)c1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide?
The InChIKey is FKCLGPCZNOZJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2S/c1-7-2-3-11(10(13)4-7)18(16,17)15-12-8-5-14-6-9(8)12/h2-4,8-9,12,14-15H,5-6H2,1H3.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide has a molecular weight of 331.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide is sourced from PubChem (CID 43597330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).