N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide

C11H17BrN2O3S — CID 113282767

IUPACN-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCC(C)(C)N
InChIInChI=1S/C11H17BrN2O3S/c1-11(2,13)7-14-18(15,16)10-6-8(12)4-5-9(10)17-3/h4-6,14H,7,13H2,1-3H3
InChIKeyUJPBLGGBXIDREN-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.47
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide

N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide (PubChem CID 113282767) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
PubChem CID113282767
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC NameN-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCC(C)(C)N
InChIInChI=1S/C11H17BrN2O3S/c1-11(2,13)7-14-18(15,16)10-6-8(12)4-5-9(10)17-3/h4-6,14H,7,13H2,1-3H3
InChIKeyUJPBLGGBXIDREN-UHFFFAOYSA-N
XLogP1.47
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-cyano-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 113372044
5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxybenzenesulfonamide
CID 103896638
N-(2-amino-2-methylpropyl)-5-bromo-2-methylbenzenesulfonamide
CID 115303519
5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 27245863
ethyl 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]propanoate
CID 3787204
N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
CID 119998568
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 119988082
5-bromo-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 25047268
5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 3859301
5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113237489
5-bromo-2-methoxy-N-(thian-4-ylmethyl)benzenesulfonamide
CID 115625397
5-bromo-N-(3-cyclopropylpropyl)-2-methoxybenzenesulfonamide
CID 115638749

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide (CID 113282767) is N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCC(C)(C)N.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide?
The InChIKey is UJPBLGGBXIDREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-11(2,13)7-14-18(15,16)10-6-8(12)4-5-9(10)17-3/h4-6,14H,7,13H2,1-3H3.
What are the key properties of N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide?
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide is sourced from PubChem (CID 113282767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).