N-[6-[cyclopropyl(methoxy)methyl]-2-pyridinyl]-2,5-difluorobenzenesulfonamide

C16H16F2N2O3S — CID 68846564

IUPACN-[6-[cyclopropyl(methoxy)methyl]-2-pyridinyl]-2,5-difluorobenzenesulfonamide
SMILESCOC(c1cccc(NS(=O)(=O)c2cc(F)ccc2F)n1)C1CC1
InChIInChI=1S/C16H16F2N2O3S/c1-23-16(10-5-6-10)13-3-2-4-15(19-13)20-24(21,22)14-9-11(17)7-8-12(14)18/h2-4,7-10,16H,5-6H2,1H3,(H,19,20)
InChIKeyWCOZYGGAWPOQBC-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.26
Rot. Bonds6

About N-[6-[cyclopropyl(methoxy)methyl]-2-pyridinyl]-2,5-difluorobenzenesulfonamide

N-[6-[cyclopropyl(methoxy)methyl]-2-pyridinyl]-2,5-difluorobenzenesulfonamide (PubChem CID 68846564) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[6-[cyclopropyl(methoxy)methyl]-2-pyridinyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[cyclopropyl(methoxy)methyl]-2-pyridinyl]-2,5-difluorobenzenesulfonamide
PubChem CID68846564
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC NameN-[6-[cyclopropyl(methoxy)methyl]-2-pyridinyl]-2,5-difluorobenzenesulfonamide
SMILESCOC(c1cccc(NS(=O)(=O)c2cc(F)ccc2F)n1)C1CC1
InChIInChI=1S/C16H16F2N2O3S/c1-23-16(10-5-6-10)13-3-2-4-15(19-13)20-24(21,22)14-9-11(17)7-8-12(14)18/h2-4,7-10,16H,5-6H2,1H3,(H,19,20)
InChIKeyWCOZYGGAWPOQBC-UHFFFAOYSA-N
XLogP3.26
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide
CID 11501262
5-Fluoro-N-[6-(4-fluoro-benzyloxymethyl)-pyridin-2-yl]-2-methyl-benzenesulfonamide
CID 11509639
2,5-difluoro-N-[6-(methoxymethyl)-2-pyridinyl]benzenesulfonamide
CID 11522524
N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide
CID 11537594
5-fluoro-N-[6-(methoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 11551341
2,5-Difluoro-N-[6-(4-fluoro-benzyloxymethyl)-pyridin-2-yl]-benzenesulfonamide
CID 11560547
N-[6-(4-Fluoro-benzyloxymethyl)-pyridin-2-yl]-3-trifluoromethyl-benzenesulfonamide
CID 11611930
2,5-difluoro-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide
CID 11702158
4-Fluoro-N-[6-(4-fluoro-benzyloxymethyl)-pyridin-2-yl]-benzenesulfonamide
CID 11710850
N-[5-(cyclopropylmethoxymethyl)-6-methylpyridin-2-yl]-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 68841116
N-[5-[cyclopropyl(methoxy)methyl]-6-methyl-2-pyridinyl]-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 68841119
4-Fluoro-N-[6-(3-fluoro-benzyloxymethyl)-pyridin-2-yl]-3-trifluoromethyl-benzenesulfonamide
CID 68841186

Frequently Asked Questions

What is the IUPAC name of N-[6-[cyclopropyl(methoxy)methyl]-2-pyridinyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[6-[cyclopropyl(methoxy)methyl]-2-pyridinyl]-2,5-difluorobenzenesulfonamide (CID 68846564) is N-[6-[cyclopropyl(methoxy)methyl]-2-pyridinyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[6-[cyclopropyl(methoxy)methyl]-2-pyridinyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[6-[cyclopropyl(methoxy)methyl]-2-pyridinyl]-2,5-difluorobenzenesulfonamide is COC(c1cccc(NS(=O)(=O)c2cc(F)ccc2F)n1)C1CC1.
What is the InChIKey of N-[6-[cyclopropyl(methoxy)methyl]-2-pyridinyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is WCOZYGGAWPOQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-23-16(10-5-6-10)13-3-2-4-15(19-13)20-24(21,22)14-9-11(17)7-8-12(14)18/h2-4,7-10,16H,5-6H2,1H3,(H,19,20).
What are the key properties of N-[6-[cyclopropyl(methoxy)methyl]-2-pyridinyl]-2,5-difluorobenzenesulfonamide?
N-[6-[cyclopropyl(methoxy)methyl]-2-pyridinyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 354.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[cyclopropyl(methoxy)methyl]-2-pyridinyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 68846564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).