N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide

C11H16BrN3O2S — CID 106020370

IUPACN-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3O2S/c1-8(6-13-10-3-4-10)18(16,17)15-11-5-2-9(12)7-14-11/h2,5,7-8,10,13H,3-4,6H2,1H3,(H,14,15)
InChIKeyFQZFJQLPTHDOGC-UHFFFAOYSA-N
MW334.24 g/mol
LogP1.73
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide

N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide (PubChem CID 106020370) has the molecular formula C11H16BrN3O2S and a molecular weight of 334.24 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide
PubChem CID106020370
Molecular FormulaC11H16BrN3O2S
Molecular Weight334.24 g/mol
Exact Mass333.01
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3O2S/c1-8(6-13-10-3-4-10)18(16,17)15-11-5-2-9(12)7-14-11/h2,5,7-8,10,13H,3-4,6H2,1H3,(H,14,15)
InChIKeyFQZFJQLPTHDOGC-UHFFFAOYSA-N
XLogP1.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003288
1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide
CID 106002465
1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
CID 106086856
5-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine
CID 114815452
1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide
CID 106031224
1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide
CID 106001978
N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 790872
1-(cyclopropylamino)-N-(4-propylphenyl)propane-2-sulfonamide
CID 106026307
N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide
CID 106018688
N-(5-bromo-2-pyridinyl)cyclohexanesulfonamide
CID 63905369
1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide
CID 106056014
1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide
CID 106058868

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide (CID 106020370) is N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide is CC(CNC1CC1)S(=O)(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide?
The InChIKey is FQZFJQLPTHDOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2S/c1-8(6-13-10-3-4-10)18(16,17)15-11-5-2-9(12)7-14-11/h2,5,7-8,10,13H,3-4,6H2,1H3,(H,14,15).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide?
N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide has a molecular weight of 334.24 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide is sourced from PubChem (CID 106020370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).