N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide

C12H18BrFN2O2S — CID 116527968

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide
SMILESCC(C)C(C)(CN)NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H18BrFN2O2S/c1-8(2)12(3,7-15)16-19(17,18)11-5-4-9(13)6-10(11)14/h4-6,8,16H,7,15H2,1-3H3
InChIKeyAOFYCVPDSMTPSU-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.24
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide

N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide (PubChem CID 116527968) has the molecular formula C12H18BrFN2O2S and a molecular weight of 353.26 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide
PubChem CID116527968
Molecular FormulaC12H18BrFN2O2S
Molecular Weight353.26 g/mol
Exact Mass352.03
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide
SMILESCC(C)C(C)(CN)NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H18BrFN2O2S/c1-8(2)12(3,7-15)16-19(17,18)11-5-4-9(13)6-10(11)14/h4-6,8,16H,7,15H2,1-3H3
InChIKeyAOFYCVPDSMTPSU-UHFFFAOYSA-N
XLogP2.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide
CID 115310737
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 115310559
N-(1-amino-2,3-dimethylbutan-2-yl)-2,3,4-trifluorobenzenesulfonamide
CID 115310595
N-(1-amino-2,3-dimethylbutan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide
CID 115310717
N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide
CID 113284014
4-bromo-2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 116528229
4-bromo-N-(3,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 116528836
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide
CID 95246466
2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 116527334
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907724

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide (CID 116527968) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide is CC(C)C(C)(CN)NS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide?
The InChIKey is AOFYCVPDSMTPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrFN2O2S/c1-8(2)12(3,7-15)16-19(17,18)11-5-4-9(13)6-10(11)14/h4-6,8,16H,7,15H2,1-3H3.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide has a molecular weight of 353.26 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116527968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).