N-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide

C14H23BrN2O4S — CID 119983487

IUPACN-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)NC(CN)CC(C)C)cc1Br
InChIInChI=1S/C14H23BrN2O4S/c1-9(2)5-10(8-16)17-22(18,19)14-6-11(15)12(20-3)7-13(14)21-4/h6-7,9-10,17H,5,8,16H2,1-4H3
InChIKeyDZBHUJUHPHJZGL-UHFFFAOYSA-N
MW395.32 g/mol
LogP2.12
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide

N-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide (PubChem CID 119983487) has the molecular formula C14H23BrN2O4S and a molecular weight of 395.32 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide
PubChem CID119983487
Molecular FormulaC14H23BrN2O4S
Molecular Weight395.32 g/mol
Exact Mass394.06
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)NC(CN)CC(C)C)cc1Br
InChIInChI=1S/C14H23BrN2O4S/c1-9(2)5-10(8-16)17-22(18,19)14-6-11(15)12(20-3)7-13(14)21-4/h6-7,9-10,17H,5,8,16H2,1-4H3
InChIKeyDZBHUJUHPHJZGL-UHFFFAOYSA-N
XLogP2.12
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119983120
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710742
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120710741
N-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 119983283
N-(3-aminobutyl)-5-bromo-2,4-dimethoxybenzenesulfonamide
CID 119972818
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119983067
N-(1-amino-4-methylpentan-2-yl)-3-methoxythiophene-2-sulfonamide
CID 119983311
5-amino-4-bromo-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 81414481
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide
CID 63887954
N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 119983139
N-(3-aminobutyl)-4-bromo-2,5-dimethoxybenzenesulfonamide;hydrochloride
CID 120708603

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide (CID 119983487) is N-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide is COc1cc(OC)c(S(=O)(=O)NC(CN)CC(C)C)cc1Br.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide?
The InChIKey is DZBHUJUHPHJZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O4S/c1-9(2)5-10(8-16)17-22(18,19)14-6-11(15)12(20-3)7-13(14)21-4/h6-7,9-10,17H,5,8,16H2,1-4H3.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide?
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide has a molecular weight of 395.32 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 119983487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).