N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride

C10H15BrClN3O2S — CID 120582741

IUPACN-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride
SMILESCl.NC(CNS(=O)(=O)c1cncc(Br)c1)C1CC1
InChIInChI=1S/C10H14BrN3O2S.ClH/c11-8-3-9(5-13-4-8)17(15,16)14-6-10(12)7-1-2-7;/h3-5,7,10,14H,1-2,6,12H2;1H
InChIKeyPYONKFOIVOKDAF-UHFFFAOYSA-N
MW356.67 g/mol
LogP1.28
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride

N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride (PubChem CID 120582741) has the molecular formula C10H15BrClN3O2S and a molecular weight of 356.67 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride
PubChem CID120582741
Molecular FormulaC10H15BrClN3O2S
Molecular Weight356.67 g/mol
Exact Mass354.98
IUPAC NameN-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride
SMILESCl.NC(CNS(=O)(=O)c1cncc(Br)c1)C1CC1
InChIInChI=1S/C10H14BrN3O2S.ClH/c11-8-3-9(5-13-4-8)17(15,16)14-6-10(12)7-1-2-7;/h3-5,7,10,14H,1-2,6,12H2;1H
InChIKeyPYONKFOIVOKDAF-UHFFFAOYSA-N
XLogP1.28
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide
CID 120582565
N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide
CID 63765093
5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide
CID 106288581
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 120582899
5-bromo-N-[(2-bromocyclohexyl)methyl]pyridine-3-sulfonamide
CID 114297590
N-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride
CID 120582550
N-(2-amino-2-cyclopropylethyl)-3-bromo-4-methyl-5-nitrobenzenesulfonamide;hydrochloride
CID 120582360
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120713313
5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide
CID 106118270
N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide
CID 99625428
methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582816
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride (CID 120582741) is N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride is Cl.NC(CNS(=O)(=O)c1cncc(Br)c1)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride?
The InChIKey is PYONKFOIVOKDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2S.ClH/c11-8-3-9(5-13-4-8)17(15,16)14-6-10(12)7-1-2-7;/h3-5,7,10,14H,1-2,6,12H2;1H.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride?
N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride has a molecular weight of 356.67 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120582741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).