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

C11H17BrN2O2S — CID 119983002

IUPACN-(1-aminopropan-2-yl)-3-bromo-N,2-dimethylbenzenesulfonamide
SMILESCc1c(Br)cccc1S(=O)(=O)N(C)C(C)CN
InChIInChI=1S/C11H17BrN2O2S/c1-8(7-13)14(3)17(15,16)11-6-4-5-10(12)9(11)2/h4-6,8H,7,13H2,1-3H3
InChIKeyGZMDVVIVFRJJBL-UHFFFAOYSA-N
MW321.24 g/mol
LogP1.73
Rot. Bonds4

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

N-(1-aminopropan-2-yl)-3-bromo-N,2-dimethylbenzenesulfonamide (PubChem CID 119983002) 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,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-bromo-N,2-dimethylbenzenesulfonamide
PubChem CID119983002
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC NameN-(1-aminopropan-2-yl)-3-bromo-N,2-dimethylbenzenesulfonamide
SMILESCc1c(Br)cccc1S(=O)(=O)N(C)C(C)CN
InChIInChI=1S/C11H17BrN2O2S/c1-8(7-13)14(3)17(15,16)11-6-4-5-10(12)9(11)2/h4-6,8H,7,13H2,1-3H3
InChIKeyGZMDVVIVFRJJBL-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

3-bromo-N,N,2-trimethylbenzenesulfonamide
CID 162727630
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide
CID 119982877
N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide
CID 119982528
N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120710579
N-(1-aminopropan-2-yl)-2-bromo-5-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982677
N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119982527
N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide
CID 119982695
N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 119982428
3-[(2-bromophenyl)sulfonyl-methylamino]butanethioamide
CID 63223551
N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982997
N-(1-aminopropan-2-yl)-4-bromo-5-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 120710582
N-(1-aminopropan-2-yl)-3-bromo-N,5-dimethylbenzenesulfonamide
CID 120710578

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-bromo-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-3-bromo-N,2-dimethylbenzenesulfonamide (CID 119983002) is N-(1-aminopropan-2-yl)-3-bromo-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-bromo-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-bromo-N,2-dimethylbenzenesulfonamide is Cc1c(Br)cccc1S(=O)(=O)N(C)C(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-bromo-N,2-dimethylbenzenesulfonamide?
The InChIKey is GZMDVVIVFRJJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-8(7-13)14(3)17(15,16)11-6-4-5-10(12)9(11)2/h4-6,8H,7,13H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-3-bromo-N,2-dimethylbenzenesulfonamide?
N-(1-aminopropan-2-yl)-3-bromo-N,2-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,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 119983002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).