4-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide

C15H14ClF3N2O3S — CID 35389902

IUPAC4-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCCOc1ncccc1CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H14ClF3N2O3S/c1-2-24-14-10(4-3-7-20-14)9-21-25(22,23)13-6-5-11(16)8-12(13)15(17,18)19/h3-8,21H,2,9H2,1H3
InChIKeyDZSXZWMSPXUUDZ-UHFFFAOYSA-N
MW394.80 g/mol
LogP3.63
Rot. Bonds6

About 4-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 35389902) has the molecular formula C15H14ClF3N2O3S and a molecular weight of 394.80 g/mol. Its IUPAC name is 4-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID35389902
Molecular FormulaC15H14ClF3N2O3S
Molecular Weight394.80 g/mol
Exact Mass394.04
IUPAC Name4-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCCOc1ncccc1CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H14ClF3N2O3S/c1-2-24-14-10(4-3-7-20-14)9-21-25(22,23)13-6-5-11(16)8-12(13)15(17,18)19/h3-8,21H,2,9H2,1H3
InChIKeyDZSXZWMSPXUUDZ-UHFFFAOYSA-N
XLogP3.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide (CID 35389902) is 4-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide is CCOc1ncccc1CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DZSXZWMSPXUUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O3S/c1-2-24-14-10(4-3-7-20-14)9-21-25(22,23)13-6-5-11(16)8-12(13)15(17,18)19/h3-8,21H,2,9H2,1H3.
What are the key properties of 4-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 394.80 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 35389902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).