N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide

C12H19BrN2O4S — CID 119982428

IUPACN-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)N(C)C(C)CN)cc1OC
InChIInChI=1S/C12H19BrN2O4S/c1-8(7-14)15(2)20(16,17)12-6-11(19-4)10(18-3)5-9(12)13/h5-6,8H,7,14H2,1-4H3
InChIKeyLGMVSXZOLQDAPB-UHFFFAOYSA-N
MW367.27 g/mol
LogP1.43
Rot. Bonds6

About N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide

N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide (PubChem CID 119982428) has the molecular formula C12H19BrN2O4S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide
PubChem CID119982428
Molecular FormulaC12H19BrN2O4S
Molecular Weight367.27 g/mol
Exact Mass366.02
IUPAC NameN-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)N(C)C(C)CN)cc1OC
InChIInChI=1S/C12H19BrN2O4S/c1-8(7-14)15(2)20(16,17)12-6-11(19-4)10(18-3)5-9(12)13/h5-6,8H,7,14H2,1-4H3
InChIKeyLGMVSXZOLQDAPB-UHFFFAOYSA-N
XLogP1.43
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 119982633
N-(1-aminopropan-2-yl)-6-bromo-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 119982580
N-(1-aminopropan-2-yl)-2-bromo-5-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982677
2-bromo-N-ethyl-4,5-dimethoxy-N-phenylbenzenesulfonamide
CID 9055831
N-(1-aminopropan-2-yl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 119982430
N-(1-aminopropan-2-yl)-3-bromo-N,2-dimethylbenzenesulfonamide
CID 119983002
N-(1-aminopropan-2-yl)-4-bromo-5-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 120710582
N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide
CID 119982572
N-(1-aminopropan-2-yl)-3-methoxy-N-methyl-4-nitrobenzenesulfonamide
CID 119982507
2-fluoro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 115776375
N-[3-(aminomethyl)pentan-3-yl]-2-bromo-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119981156
5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 79961889

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide (CID 119982428) is N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide is COc1cc(Br)c(S(=O)(=O)N(C)C(C)CN)cc1OC.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide?
The InChIKey is LGMVSXZOLQDAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O4S/c1-8(7-14)15(2)20(16,17)12-6-11(19-4)10(18-3)5-9(12)13/h5-6,8H,7,14H2,1-4H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide?
N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide has a molecular weight of 367.27 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 119982428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).