6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide

C20H17F3N4O2S — CID 134344472

IUPAC6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(-c3ccccc3C3CC3)n2)n1
InChIInChI=1S/C20H17F3N4O2S/c21-20(22,23)15-10-11-17(27-30(28,29)18-7-3-6-16(24)25-18)26-19(15)14-5-2-1-4-13(14)12-8-9-12/h1-7,10-12H,8-9H2,(H2,24,25)(H,26,27)
InChIKeyDGEKWZBSKHUOIQ-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.42
Rot. Bonds5

About 6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide

6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134344472) has the molecular formula C20H17F3N4O2S and a molecular weight of 434.44 g/mol. Its IUPAC name is 6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID134344472
Molecular FormulaC20H17F3N4O2S
Molecular Weight434.44 g/mol
Exact Mass434.10
IUPAC Name6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(-c3ccccc3C3CC3)n2)n1
InChIInChI=1S/C20H17F3N4O2S/c21-20(22,23)15-10-11-17(27-30(28,29)18-7-3-6-16(24)25-18)26-19(15)14-5-2-1-4-13(14)12-8-9-12/h1-7,10-12H,8-9H2,(H2,24,25)(H,26,27)
InChIKeyDGEKWZBSKHUOIQ-UHFFFAOYSA-N
XLogP4.42
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-[5-chloro-6-(2-cyclopropylphenyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134306401
6-(2-cyclopropylphenyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 162607435
1-[6-[[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 134306615
6-amino-N-[5-chloro-6-[2-chloro-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide
CID 134306511
6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride
CID 134308318
N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
CID 134306679
6-[(4-hydroxyoxan-3-yl)amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134306583
N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide
CID 166653957
4-[[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 154674650
6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134344498
ethyl 2-methyl-2-[1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidin-4-yl]propanoate
CID 154674773
6-[[(3S,4R)-3-methoxypiperidin-4-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride
CID 134306683

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (CID 134344472) is 6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is Nc1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(-c3ccccc3C3CC3)n2)n1.
What is the InChIKey of 6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is DGEKWZBSKHUOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2S/c21-20(22,23)15-10-11-17(27-30(28,29)18-7-3-6-16(24)25-18)26-19(15)14-5-2-1-4-13(14)12-8-9-12/h1-7,10-12H,8-9H2,(H2,24,25)(H,26,27).
What are the key properties of 6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 434.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134344472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).