2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide

C14H12ClF3N2O3S — CID 35389490

IUPAC2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ncccc1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H12ClF3N2O3S/c1-23-13-9(3-2-6-19-13)8-20-24(21,22)12-7-10(14(16,17)18)4-5-11(12)15/h2-7,20H,8H2,1H3
InChIKeyAGXWBIYFINQDJU-UHFFFAOYSA-N
MW380.78 g/mol
LogP3.24
Rot. Bonds5

About 2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 35389490) has the molecular formula C14H12ClF3N2O3S and a molecular weight of 380.78 g/mol. Its IUPAC name is 2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID35389490
Molecular FormulaC14H12ClF3N2O3S
Molecular Weight380.78 g/mol
Exact Mass380.02
IUPAC Name2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ncccc1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H12ClF3N2O3S/c1-23-13-9(3-2-6-19-13)8-20-24(21,22)12-7-10(14(16,17)18)4-5-11(12)15/h2-7,20H,8H2,1H3
InChIKeyAGXWBIYFINQDJU-UHFFFAOYSA-N
XLogP3.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.78
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 61059679
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 52883702
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38533028
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016
2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 86989290
2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 122262182
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 55353351
2-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 60530864
N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide
CID 113465018
2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 30366267
N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide
CID 35389696
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 3861490

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide (CID 35389490) is 2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide is COc1ncccc1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AGXWBIYFINQDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O3S/c1-23-13-9(3-2-6-19-13)8-20-24(21,22)12-7-10(14(16,17)18)4-5-11(12)15/h2-7,20H,8H2,1H3.
What are the key properties of 2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 380.78 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 35389490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).