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

C11H18BrClN2O3S — CID 119988224

IUPACN-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(Br)c(S(=O)(=O)NCC(C)(C)N)c1.Cl
InChIInChI=1S/C11H17BrN2O3S.ClH/c1-11(2,13)7-14-18(15,16)10-6-8(17-3)4-5-9(10)12;/h4-6,14H,7,13H2,1-3H3;1H
InChIKeyAVMMKZQWPVVLRO-UHFFFAOYSA-N
MW373.70 g/mol
LogP1.90
Rot. Bonds5

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

N-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride (PubChem CID 119988224) has the molecular formula C11H18BrClN2O3S and a molecular weight of 373.70 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride
PubChem CID119988224
Molecular FormulaC11H18BrClN2O3S
Molecular Weight373.70 g/mol
Exact Mass371.99
IUPAC NameN-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(Br)c(S(=O)(=O)NCC(C)(C)N)c1.Cl
InChIInChI=1S/C11H17BrN2O3S.ClH/c1-11(2,13)7-14-18(15,16)10-6-8(17-3)4-5-9(10)12;/h4-6,14H,7,13H2,1-3H3;1H
InChIKeyAVMMKZQWPVVLRO-UHFFFAOYSA-N
XLogP1.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.70
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-bromo-5-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071461
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 119988082
N-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 120706199
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 65202378
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-bromobenzoate;hydrochloride
CID 119988077
2-bromo-5-methoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966428
N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119987988
2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994618
2-bromo-5-methoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966429
N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide
CID 115303618

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride (CID 119988224) is N-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride is COc1ccc(Br)c(S(=O)(=O)NCC(C)(C)N)c1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is AVMMKZQWPVVLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S.ClH/c1-11(2,13)7-14-18(15,16)10-6-8(17-3)4-5-9(10)12;/h4-6,14H,7,13H2,1-3H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 373.70 g/mol, XLogP of 1.90, 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)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119988224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).