N-(6-amino-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide

C24H20F6N6O4S2 — CID 139145812

IUPACN-(6-amino-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESNc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1.Nc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/2C12H10F3N3O2S/c2*13-12(14,15)8-4-6-9(7-5-8)21(19,20)18-11-3-1-2-10(16)17-11/h2*1-7H,(H3,16,17,18)
InChIKeyBFOAEXYDUMHFBO-UHFFFAOYSA-N
MW634.58 g/mol
LogP4.97
Rot. Bonds6

About N-(6-amino-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide

N-(6-amino-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 139145812) has the molecular formula C24H20F6N6O4S2 and a molecular weight of 634.58 g/mol. Its IUPAC name is N-(6-amino-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID139145812
Molecular FormulaC24H20F6N6O4S2
Molecular Weight634.58 g/mol
Exact Mass634.09
IUPAC NameN-(6-amino-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESNc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1.Nc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/2C12H10F3N3O2S/c2*13-12(14,15)8-4-6-9(7-5-8)21(19,20)18-11-3-1-2-10(16)17-11/h2*1-7H,(H3,16,17,18)
InChIKeyBFOAEXYDUMHFBO-UHFFFAOYSA-N
XLogP4.97
TPSA170.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.58
LogP ≤ 54.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(6-amino-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide (CID 139145812) is N-(6-amino-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(6-amino-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(6-amino-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide is Nc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1.Nc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(6-amino-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BFOAEXYDUMHFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10F3N3O2S/c2*13-12(14,15)8-4-6-9(7-5-8)21(19,20)18-11-3-1-2-10(16)17-11/h2*1-7H,(H3,16,17,18).
What are the key properties of N-(6-amino-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(6-amino-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 634.58 g/mol, XLogP of 4.97, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 139145812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).