6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide

C15H14ClF3N2O3S — CID 8933114

IUPAC6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H14ClF3N2O3S/c1-2-7-24-13-5-3-10(15(17,18)19)8-12(13)21-25(22,23)11-4-6-14(16)20-9-11/h3-6,8-9,21H,2,7H2,1H3
InChIKeyVKZCMAYNZQOHCI-UHFFFAOYSA-N
MW394.80 g/mol
LogP4.34
Rot. Bonds6

About 6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide

6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide (PubChem CID 8933114) has the molecular formula C15H14ClF3N2O3S and a molecular weight of 394.80 g/mol. Its IUPAC name is 6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide
PubChem CID8933114
Molecular FormulaC15H14ClF3N2O3S
Molecular Weight394.80 g/mol
Exact Mass394.04
IUPAC Name6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H14ClF3N2O3S/c1-2-7-24-13-5-3-10(15(17,18)19)8-12(13)21-25(22,23)11-4-6-14(16)20-9-11/h3-6,8-9,21H,2,7H2,1H3
InChIKeyVKZCMAYNZQOHCI-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-N-isopropylbenzenesulfonamide
CID 1471207
2-(3-Chloro-5-pyridyloxy)-5-(2,4-dichlorobenzenesulfonamido)benzotrifluoride
CID 22993886
4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 1471186
N-[2-(4-chlorophenoxy)pyridin-3-yl]-4-methylbenzenesulfonamide
CID 2728373
4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-N-propylbenzenesulfonamide
CID 4353061
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 18284689
6-chloro-N-(2,5-dimethoxyphenyl)-3-pyridinesulfonamide
CID 822461
5,6-dichloro-N-(4-ethoxyphenyl)-3-pyridinesulfonamide
CID 826900
4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-N-phenylbenzenesulfonamide
CID 1471205
5-chloro-2-ethoxy-N-(3-pyridinylmethyl)benzenesulfonamide
CID 850036
6-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
CID 2683558
4-chloro-N-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 42992378

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide (CID 8933114) is 6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide is CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide?
The InChIKey is VKZCMAYNZQOHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O3S/c1-2-7-24-13-5-3-10(15(17,18)19)8-12(13)21-25(22,23)11-4-6-14(16)20-9-11/h3-6,8-9,21H,2,7H2,1H3.
What are the key properties of 6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide?
6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide has a molecular weight of 394.80 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 8933114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).