N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide

C13H12F2N2O3S — CID 3823851

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(OC(F)F)cc1)c1cccnc1
InChIInChI=1S/C13H12F2N2O3S/c14-13(15)20-11-5-3-10(4-6-11)8-17-21(18,19)12-2-1-7-16-9-12/h1-7,9,13,17H,8H2
InChIKeyNXBMHFJLPSRQCF-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.16
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide

N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide (PubChem CID 3823851) has the molecular formula C13H12F2N2O3S and a molecular weight of 314.31 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide
PubChem CID3823851
Molecular FormulaC13H12F2N2O3S
Molecular Weight314.31 g/mol
Exact Mass314.05
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(OC(F)F)cc1)c1cccnc1
InChIInChI=1S/C13H12F2N2O3S/c14-13(15)20-11-5-3-10(4-6-11)8-17-21(18,19)12-2-1-7-16-9-12/h1-7,9,13,17H,8H2
InChIKeyNXBMHFJLPSRQCF-UHFFFAOYSA-N
XLogP2.16
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 29350986
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 36873297
N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 91625946
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 39794775
N-(1H-indol-5-ylmethyl)pyridine-3-sulfonamide
CID 169029432
3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide
CID 49457332
N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 43025858
4-(2-chloroethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 28719352
3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 35556031
N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 25044131
1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene
CID 31076489
N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 47331342

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide (CID 3823851) is N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide is O=S(=O)(NCc1ccc(OC(F)F)cc1)c1cccnc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide?
The InChIKey is NXBMHFJLPSRQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3S/c14-13(15)20-11-5-3-10(4-6-11)8-17-21(18,19)12-2-1-7-16-9-12/h1-7,9,13,17H,8H2.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide?
N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide has a molecular weight of 314.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 3823851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).