N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide

C14H23BrN2O3S — CID 119983120

IUPACN-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(Br)cc1S(=O)(=O)NC(CN)CC(C)C
InChIInChI=1S/C14H23BrN2O3S/c1-9(2)5-11(8-16)17-21(18,19)14-7-12(15)10(3)6-13(14)20-4/h6-7,9,11,17H,5,8,16H2,1-4H3
InChIKeyDHVQTYCFINCDJU-UHFFFAOYSA-N
MW379.32 g/mol
LogP2.42
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide

N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 119983120) has the molecular formula C14H23BrN2O3S and a molecular weight of 379.32 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
PubChem CID119983120
Molecular FormulaC14H23BrN2O3S
Molecular Weight379.32 g/mol
Exact Mass378.06
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(Br)cc1S(=O)(=O)NC(CN)CC(C)C
InChIInChI=1S/C14H23BrN2O3S/c1-9(2)5-11(8-16)17-21(18,19)14-7-12(15)10(3)6-13(14)20-4/h6-7,9,11,17H,5,8,16H2,1-4H3
InChIKeyDHVQTYCFINCDJU-UHFFFAOYSA-N
XLogP2.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide
CID 119983487
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119986669
5-bromo-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxy-4-methylbenzenesulfonamide
CID 42034401
5-bromo-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-4-methylbenzenesulfonamide
CID 42034400
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-methoxy-4-methylbenzenesulfonamide
CID 119972422
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119983067
N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 119983139
N-(4-aminobutyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 120583356
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methoxy-4-methylbenzenesulfonamide
CID 27262155

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide (CID 119983120) is N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide is COc1cc(C)c(Br)cc1S(=O)(=O)NC(CN)CC(C)C.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is DHVQTYCFINCDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O3S/c1-9(2)5-11(8-16)17-21(18,19)14-7-12(15)10(3)6-13(14)20-4/h6-7,9,11,17H,5,8,16H2,1-4H3.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide?
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 379.32 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 119983120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).