N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride

C12H17BrClFN2O2S — CID 119981749

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride
SMILESCC(CN)(NS(=O)(=O)c1ccc(Br)c(F)c1)C1CC1.Cl
InChIInChI=1S/C12H16BrFN2O2S.ClH/c1-12(7-15,8-2-3-8)16-19(17,18)9-4-5-10(13)11(14)6-9;/h4-6,8,16H,2-3,7,15H2,1H3;1H
InChIKeyRRIYAPJKHJCUMY-UHFFFAOYSA-N
MW387.70 g/mol
LogP2.42
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride (PubChem CID 119981749) has the molecular formula C12H17BrClFN2O2S and a molecular weight of 387.70 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride
PubChem CID119981749
Molecular FormulaC12H17BrClFN2O2S
Molecular Weight387.70 g/mol
Exact Mass385.99
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride
SMILESCC(CN)(NS(=O)(=O)c1ccc(Br)c(F)c1)C1CC1.Cl
InChIInChI=1S/C12H16BrFN2O2S.ClH/c1-12(7-15,8-2-3-8)16-19(17,18)9-4-5-10(13)11(14)6-9;/h4-6,8,16H,2-3,7,15H2,1H3;1H
InChIKeyRRIYAPJKHJCUMY-UHFFFAOYSA-N
XLogP2.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.70
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 115307970
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-sulfonamide;hydrochloride
CID 119981675
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide
CID 115307839
N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119981622
N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 115307924
N-(1-amino-2-cyclopropylpropan-2-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 115307984
N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride
CID 120710372
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(trifluoromethoxy)benzenesulfonamide
CID 119981759
N-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide
CID 115307942
N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide
CID 103829047
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 119981715
N-(1-amino-2-cyclopropylpropan-2-yl)-2-nitrobenzenesulfonamide
CID 115308023

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride (CID 119981749) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride is CC(CN)(NS(=O)(=O)c1ccc(Br)c(F)c1)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is RRIYAPJKHJCUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2S.ClH/c1-12(7-15,8-2-3-8)16-19(17,18)9-4-5-10(13)11(14)6-9;/h4-6,8,16H,2-3,7,15H2,1H3;1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 387.70 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119981749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).