N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide

C16H16F2N2O3S — CID 11501262

IUPACN-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(COCC2CC2)n1)c1cc(F)ccc1F
InChIInChI=1S/C16H16F2N2O3S/c17-12-6-7-14(18)15(8-12)24(21,22)20-16-3-1-2-13(19-16)10-23-9-11-4-5-11/h1-3,6-8,11H,4-5,9-10H2,(H,19,20)
InChIKeyQUWRJRRYCGHABO-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.09
Rot. Bonds7

About N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide

N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide (PubChem CID 11501262) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide
PubChem CID11501262
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC NameN-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(COCC2CC2)n1)c1cc(F)ccc1F
InChIInChI=1S/C16H16F2N2O3S/c17-12-6-7-14(18)15(8-12)24(21,22)20-16-3-1-2-13(19-16)10-23-9-11-4-5-11/h1-3,6-8,11H,4-5,9-10H2,(H,19,20)
InChIKeyQUWRJRRYCGHABO-UHFFFAOYSA-N
XLogP3.09
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide (CID 11501262) is N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide is O=S(=O)(Nc1cccc(COCC2CC2)n1)c1cc(F)ccc1F.
What is the InChIKey of N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is QUWRJRRYCGHABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c17-12-6-7-14(18)15(8-12)24(21,22)20-16-3-1-2-13(19-16)10-23-9-11-4-5-11/h1-3,6-8,11H,4-5,9-10H2,(H,19,20).
What are the key properties of N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide?
N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 354.38 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylmethoxymethyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 11501262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).