6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide

C19H16ClF3N4O2S — CID 134306369

IUPAC6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCc1cccc(C)c1-c1nc(NS(=O)(=O)c2cccc(N)n2)cc(C(F)(F)F)c1Cl
InChIInChI=1S/C19H16ClF3N4O2S/c1-10-5-3-6-11(2)16(10)18-17(20)12(19(21,22)23)9-14(26-18)27-30(28,29)15-8-4-7-13(24)25-15/h3-9H,1-2H3,(H2,24,25)(H,26,27)
InChIKeyOPBVBHPGGYRWHQ-UHFFFAOYSA-N
MW456.88 g/mol
LogP4.82
Rot. Bonds4

About 6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide

6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134306369) has the molecular formula C19H16ClF3N4O2S and a molecular weight of 456.88 g/mol. Its IUPAC name is 6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID134306369
Molecular FormulaC19H16ClF3N4O2S
Molecular Weight456.88 g/mol
Exact Mass456.06
IUPAC Name6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCc1cccc(C)c1-c1nc(NS(=O)(=O)c2cccc(N)n2)cc(C(F)(F)F)c1Cl
InChIInChI=1S/C19H16ClF3N4O2S/c1-10-5-3-6-11(2)16(10)18-17(20)12(19(21,22)23)9-14(26-18)27-30(28,29)15-8-4-7-13(24)25-15/h3-9H,1-2H3,(H2,24,25)(H,26,27)
InChIKeyOPBVBHPGGYRWHQ-UHFFFAOYSA-N
XLogP4.82
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.88
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (CID 134306369) is 6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is Cc1cccc(C)c1-c1nc(NS(=O)(=O)c2cccc(N)n2)cc(C(F)(F)F)c1Cl.
What is the InChIKey of 6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is OPBVBHPGGYRWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O2S/c1-10-5-3-6-11(2)16(10)18-17(20)12(19(21,22)23)9-14(26-18)27-30(28,29)15-8-4-7-13(24)25-15/h3-9H,1-2H3,(H2,24,25)(H,26,27).
What are the key properties of 6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 456.88 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134306369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).