2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

C10H13BrF3N3O2S — CID 62147803

IUPAC2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C10H13BrF3N3O2S/c1-6(2)17(5-10(12,13)14)20(18,19)8-3-7(11)4-16-9(8)15/h3-4,6H,5H2,1-2H3,(H2,15,16)
InChIKeyBNRMEDZQZYETCM-UHFFFAOYSA-N
MW376.20 g/mol
LogP2.39
Rot. Bonds4

About 2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 62147803) has the molecular formula C10H13BrF3N3O2S and a molecular weight of 376.20 g/mol. Its IUPAC name is 2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID62147803
Molecular FormulaC10H13BrF3N3O2S
Molecular Weight376.20 g/mol
Exact Mass374.99
IUPAC Name2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C10H13BrF3N3O2S/c1-6(2)17(5-10(12,13)14)20(18,19)8-3-7(11)4-16-9(8)15/h3-4,6H,5H2,1-2H3,(H2,15,16)
InChIKeyBNRMEDZQZYETCM-UHFFFAOYSA-N
XLogP2.39
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 62147803) is 2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is CC(C)N(CC(F)(F)F)S(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is BNRMEDZQZYETCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3N3O2S/c1-6(2)17(5-10(12,13)14)20(18,19)8-3-7(11)4-16-9(8)15/h3-4,6H,5H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 376.20 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62147803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).