N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(piperidin-3-ylamino)pyridine-2-sulfonamide

C23H24F3N5O2S — CID 134306387

IUPACN-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(piperidin-3-ylamino)pyridine-2-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(NC3CCCNC3)n2)ccc1C(F)(F)F
InChIInChI=1S/C23H24F3N5O2S/c1-15-6-2-3-8-17(15)22-18(23(24,25)26)11-12-20(30-22)31-34(32,33)21-10-4-9-19(29-21)28-16-7-5-13-27-14-16/h2-4,6,8-12,16,27H,5,7,13-14H2,1H3,(H,28,29)(H,30,31)
InChIKeyKCLRDNRKNNLPMB-UHFFFAOYSA-N
MW491.54 g/mol
LogP4.44
Rot. Bonds6

About N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(piperidin-3-ylamino)pyridine-2-sulfonamide

N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(piperidin-3-ylamino)pyridine-2-sulfonamide (PubChem CID 134306387) has the molecular formula C23H24F3N5O2S and a molecular weight of 491.54 g/mol. Its IUPAC name is N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(piperidin-3-ylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(piperidin-3-ylamino)pyridine-2-sulfonamide
PubChem CID134306387
Molecular FormulaC23H24F3N5O2S
Molecular Weight491.54 g/mol
Exact Mass491.16
IUPAC NameN-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(piperidin-3-ylamino)pyridine-2-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(NC3CCCNC3)n2)ccc1C(F)(F)F
InChIInChI=1S/C23H24F3N5O2S/c1-15-6-2-3-8-17(15)22-18(23(24,25)26)11-12-20(30-22)31-34(32,33)21-10-4-9-19(29-21)28-16-7-5-13-27-14-16/h2-4,6,8-12,16,27H,5,7,13-14H2,1H3,(H,28,29)(H,30,31)
InChIKeyKCLRDNRKNNLPMB-UHFFFAOYSA-N
XLogP4.44
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(piperidin-3-ylamino)pyridine-2-sulfonamide?
The IUPAC name of N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(piperidin-3-ylamino)pyridine-2-sulfonamide (CID 134306387) is N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(piperidin-3-ylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(piperidin-3-ylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(piperidin-3-ylamino)pyridine-2-sulfonamide is Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(NC3CCCNC3)n2)ccc1C(F)(F)F.
What is the InChIKey of N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(piperidin-3-ylamino)pyridine-2-sulfonamide?
The InChIKey is KCLRDNRKNNLPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2S/c1-15-6-2-3-8-17(15)22-18(23(24,25)26)11-12-20(30-22)31-34(32,33)21-10-4-9-19(29-21)28-16-7-5-13-27-14-16/h2-4,6,8-12,16,27H,5,7,13-14H2,1H3,(H,28,29)(H,30,31).
What are the key properties of N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(piperidin-3-ylamino)pyridine-2-sulfonamide?
N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(piperidin-3-ylamino)pyridine-2-sulfonamide has a molecular weight of 491.54 g/mol, XLogP of 4.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(piperidin-3-ylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 134306387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).