2-amino-5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C12H16BrF3N2O2S — CID 61105712

IUPAC2-amino-5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C12H16BrF3N2O2S/c1-8(2)6-18(7-12(14,15)16)21(19,20)11-5-9(13)3-4-10(11)17/h3-5,8H,6-7,17H2,1-2H3
InChIKeyLJVGYFKOJSXBBV-UHFFFAOYSA-N
MW389.24 g/mol
LogP3.24
Rot. Bonds5

About 2-amino-5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-amino-5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 61105712) has the molecular formula C12H16BrF3N2O2S and a molecular weight of 389.24 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID61105712
Molecular FormulaC12H16BrF3N2O2S
Molecular Weight389.24 g/mol
Exact Mass388.01
IUPAC Name2-amino-5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C12H16BrF3N2O2S/c1-8(2)6-18(7-12(14,15)16)21(19,20)11-5-9(13)3-4-10(11)17/h3-5,8H,6-7,17H2,1-2H3
InChIKeyLJVGYFKOJSXBBV-UHFFFAOYSA-N
XLogP3.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106801
5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 63420895
2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 65427020
5-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 61105335
2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide
CID 66619301
2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106619
4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 61300173
2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105733
2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111458
4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587401
2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62147803
2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61139950

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 61105712) is 2-amino-5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CC(C)CN(CC(F)(F)F)S(=O)(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is LJVGYFKOJSXBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF3N2O2S/c1-8(2)6-18(7-12(14,15)16)21(19,20)11-5-9(13)3-4-10(11)17/h3-5,8H,6-7,17H2,1-2H3.
What are the key properties of 2-amino-5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-amino-5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 389.24 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 61105712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).