N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide

C12H19BrN2O2S — CID 106061222

IUPACN-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C12H19BrN2O2S/c1-9(2)14-8-10(3)18(16,17)15-12-7-5-4-6-11(12)13/h4-7,9-10,14-15H,8H2,1-3H3
InChIKeyJEDICPUFOFIBJV-UHFFFAOYSA-N
MW335.27 g/mol
LogP2.58
Rot. Bonds6

About N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide

N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106061222) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106061222
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC NameN-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C12H19BrN2O2S/c1-9(2)14-8-10(3)18(16,17)15-12-7-5-4-6-11(12)13/h4-7,9-10,14-15H,8H2,1-3H3
InChIKeyJEDICPUFOFIBJV-UHFFFAOYSA-N
XLogP2.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)propane-2-sulfonamide
CID 60864383
N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106073470
N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106067184
N-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106071152
N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106065488
N-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106066656
N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106061210
N-(2-iodophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106030243
2-bromo-N-(methylsulfamoyl)aniline
CID 71126560
N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114140099
N-(1-methylpyrazol-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114135422
1-(2-bromophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol
CID 113317935

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106061222) is N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide is CC(C)NCC(C)S(=O)(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is JEDICPUFOFIBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-9(2)14-8-10(3)18(16,17)15-12-7-5-4-6-11(12)13/h4-7,9-10,14-15H,8H2,1-3H3.
What are the key properties of N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 335.27 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106061222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).