N-(3-chlorophenyl)sulfonyl-N-prop-2-ynyl-4-(trifluoromethyl)pyridine-3-carboxamide

C16H10ClF3N2O3S — CID 15480417

IUPACN-(3-chlorophenyl)sulfonyl-N-prop-2-ynyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESC#CCN(C(=O)c1cnccc1C(F)(F)F)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H10ClF3N2O3S/c1-2-8-22(26(24,25)12-5-3-4-11(17)9-12)15(23)13-10-21-7-6-14(13)16(18,19)20/h1,3-7,9-10H,8H2
InChIKeyZSWBNTMOUVMLLH-UHFFFAOYSA-N
MW402.78 g/mol
LogP3.22
Rot. Bonds4

About N-(3-chlorophenyl)sulfonyl-N-prop-2-ynyl-4-(trifluoromethyl)pyridine-3-carboxamide

N-(3-chlorophenyl)sulfonyl-N-prop-2-ynyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 15480417) has the molecular formula C16H10ClF3N2O3S and a molecular weight of 402.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)sulfonyl-N-prop-2-ynyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)sulfonyl-N-prop-2-ynyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID15480417
Molecular FormulaC16H10ClF3N2O3S
Molecular Weight402.78 g/mol
Exact Mass402.01
IUPAC NameN-(3-chlorophenyl)sulfonyl-N-prop-2-ynyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESC#CCN(C(=O)c1cnccc1C(F)(F)F)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H10ClF3N2O3S/c1-2-8-22(26(24,25)12-5-3-4-11(17)9-12)15(23)13-10-21-7-6-14(13)16(18,19)20/h1,3-7,9-10H,8H2
InChIKeyZSWBNTMOUVMLLH-UHFFFAOYSA-N
XLogP3.22
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.78
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)sulfonyl-N-prop-2-ynyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)sulfonyl-N-prop-2-ynyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 15480417) is N-(3-chlorophenyl)sulfonyl-N-prop-2-ynyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)sulfonyl-N-prop-2-ynyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)sulfonyl-N-prop-2-ynyl-4-(trifluoromethyl)pyridine-3-carboxamide is C#CCN(C(=O)c1cnccc1C(F)(F)F)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)sulfonyl-N-prop-2-ynyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZSWBNTMOUVMLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O3S/c1-2-8-22(26(24,25)12-5-3-4-11(17)9-12)15(23)13-10-21-7-6-14(13)16(18,19)20/h1,3-7,9-10H,8H2.
What are the key properties of N-(3-chlorophenyl)sulfonyl-N-prop-2-ynyl-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(3-chlorophenyl)sulfonyl-N-prop-2-ynyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 402.78 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)sulfonyl-N-prop-2-ynyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 15480417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).