N-(1-aminopropan-2-yl)-3-bromo-N,5-dimethylbenzenesulfonamide

C11H17BrN2O2S — CID 120710578

IUPACN-(1-aminopropan-2-yl)-3-bromo-N,5-dimethylbenzenesulfonamide
SMILESCc1cc(Br)cc(S(=O)(=O)N(C)C(C)CN)c1
InChIInChI=1S/C11H17BrN2O2S/c1-8-4-10(12)6-11(5-8)17(15,16)14(3)9(2)7-13/h4-6,9H,7,13H2,1-3H3
InChIKeyOSKLPQDKEPBETP-UHFFFAOYSA-N
MW321.24 g/mol
LogP1.73
Rot. Bonds4

About N-(1-aminopropan-2-yl)-3-bromo-N,5-dimethylbenzenesulfonamide

N-(1-aminopropan-2-yl)-3-bromo-N,5-dimethylbenzenesulfonamide (PubChem CID 120710578) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-bromo-N,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-bromo-N,5-dimethylbenzenesulfonamide
PubChem CID120710578
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC NameN-(1-aminopropan-2-yl)-3-bromo-N,5-dimethylbenzenesulfonamide
SMILESCc1cc(Br)cc(S(=O)(=O)N(C)C(C)CN)c1
InChIInChI=1S/C11H17BrN2O2S/c1-8-4-10(12)6-11(5-8)17(15,16)14(3)9(2)7-13/h4-6,9H,7,13H2,1-3H3
InChIKeyOSKLPQDKEPBETP-UHFFFAOYSA-N
XLogP1.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-3,4,5-trifluoro-N-methylbenzenesulfonamide
CID 119982906
N-[(2S)-1-aminopropan-2-yl]-3-bromo-5-methylbenzenesulfonamide;hydrochloride
CID 120713137
N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982997
N-(1-aminopropan-2-yl)-3-bromo-N,2-dimethylbenzenesulfonamide
CID 119983002
N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 119982428
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide
CID 119982877
N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride
CID 120710620
N-(1-aminopropan-2-yl)-2-bromo-5-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982677
N-(1-aminopropan-2-yl)-N,4,5-trimethylthiophene-2-sulfonamide
CID 86784631
N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 119982843
N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride
CID 120712533
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-N,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-3-bromo-N,5-dimethylbenzenesulfonamide (CID 120710578) is N-(1-aminopropan-2-yl)-3-bromo-N,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-bromo-N,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-bromo-N,5-dimethylbenzenesulfonamide is Cc1cc(Br)cc(S(=O)(=O)N(C)C(C)CN)c1.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-bromo-N,5-dimethylbenzenesulfonamide?
The InChIKey is OSKLPQDKEPBETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-8-4-10(12)6-11(5-8)17(15,16)14(3)9(2)7-13/h4-6,9H,7,13H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-3-bromo-N,5-dimethylbenzenesulfonamide?
N-(1-aminopropan-2-yl)-3-bromo-N,5-dimethylbenzenesulfonamide has a molecular weight of 321.24 g/mol, XLogP of 1.73, 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-N,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 120710578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).