1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-5-sulfamoylphenyl)piperidine-4-carboxamide

C19H20ClF3N4O3S — CID 58182702

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-5-sulfamoylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C19H20ClF3N4O3S/c1-11-2-3-14(31(24,29)30)9-16(11)26-18(28)12-4-6-27(7-5-12)17-15(20)8-13(10-25-17)19(21,22)23/h2-3,8-10,12H,4-7H2,1H3,(H,26,28)(H2,24,29,30)
InChIKeyQSNWAUBDGZXGGA-UHFFFAOYSA-N
MW476.91 g/mol
LogP3.56
Rot. Bonds4

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-5-sulfamoylphenyl)piperidine-4-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-5-sulfamoylphenyl)piperidine-4-carboxamide (PubChem CID 58182702) has the molecular formula C19H20ClF3N4O3S and a molecular weight of 476.91 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-5-sulfamoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-5-sulfamoylphenyl)piperidine-4-carboxamide
PubChem CID58182702
Molecular FormulaC19H20ClF3N4O3S
Molecular Weight476.91 g/mol
Exact Mass476.09
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-5-sulfamoylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C19H20ClF3N4O3S/c1-11-2-3-14(31(24,29)30)9-16(11)26-18(28)12-4-6-27(7-5-12)17-15(20)8-13(10-25-17)19(21,22)23/h2-3,8-10,12H,4-7H2,1H3,(H,26,28)(H2,24,29,30)
InChIKeyQSNWAUBDGZXGGA-UHFFFAOYSA-N
XLogP3.56
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.91
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-5-sulfamoylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-5-sulfamoylphenyl)piperidine-4-carboxamide (CID 58182702) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-5-sulfamoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-5-sulfamoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-5-sulfamoylphenyl)piperidine-4-carboxamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-5-sulfamoylphenyl)piperidine-4-carboxamide?
The InChIKey is QSNWAUBDGZXGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N4O3S/c1-11-2-3-14(31(24,29)30)9-16(11)26-18(28)12-4-6-27(7-5-12)17-15(20)8-13(10-25-17)19(21,22)23/h2-3,8-10,12H,4-7H2,1H3,(H,26,28)(H2,24,29,30).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-5-sulfamoylphenyl)piperidine-4-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-5-sulfamoylphenyl)piperidine-4-carboxamide has a molecular weight of 476.91 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-5-sulfamoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 58182702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).