N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride

C10H15BrClFN2O2S — CID 119982997

IUPACN-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
SMILESCC(CN)N(C)S(=O)(=O)c1ccc(F)c(Br)c1.Cl
InChIInChI=1S/C10H14BrFN2O2S.ClH/c1-7(6-13)14(2)17(15,16)8-3-4-10(12)9(11)5-8;/h3-5,7H,6,13H2,1-2H3;1H
InChIKeyPOLYPLWEUFURKA-UHFFFAOYSA-N
MW361.66 g/mol
LogP1.98
Rot. Bonds4

About N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride

N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 119982997) has the molecular formula C10H15BrClFN2O2S and a molecular weight of 361.66 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
PubChem CID119982997
Molecular FormulaC10H15BrClFN2O2S
Molecular Weight361.66 g/mol
Exact Mass359.97
IUPAC NameN-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
SMILESCC(CN)N(C)S(=O)(=O)c1ccc(F)c(Br)c1.Cl
InChIInChI=1S/C10H14BrFN2O2S.ClH/c1-7(6-13)14(2)17(15,16)8-3-4-10(12)9(11)5-8;/h3-5,7H,6,13H2,1-2H3;1H
InChIKeyPOLYPLWEUFURKA-UHFFFAOYSA-N
XLogP1.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.66
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119982967
N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride
CID 120710620
N-(1-aminopropan-2-yl)-3,4,5-trifluoro-N-methylbenzenesulfonamide
CID 119982906
N-(1-aminopropan-2-yl)-2-bromo-5-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982677
N-(1-aminopropan-2-yl)-4-bromo-5-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 120710582
N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 119992402
4-bromo-N-(1-cyanopropan-2-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 71997631
(3-bromo-4-fluorophenyl)sulfonyl-propan-2-ylcarbamic acid
CID 155343233
N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride
CID 119982419
N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride
CID 119982500
N-(1-aminopropan-2-yl)-3-bromo-N,5-dimethylbenzenesulfonamide
CID 120710578
4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride
CID 120875211

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride (CID 119982997) is N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride is CC(CN)N(C)S(=O)(=O)c1ccc(F)c(Br)c1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is POLYPLWEUFURKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O2S.ClH/c1-7(6-13)14(2)17(15,16)8-3-4-10(12)9(11)5-8;/h3-5,7H,6,13H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride?
N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 361.66 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119982997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).