N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide

C12H12F2N4O4S — CID 122252830

IUPACN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2cc(F)ccc2F)nc(OC)n1
InChIInChI=1S/C12H12F2N4O4S/c1-21-11-16-10(17-12(18-11)22-2)6-15-23(19,20)9-5-7(13)3-4-8(9)14/h3-5,15H,6H2,1-2H3
InChIKeyWDECUAAKZGIJPV-UHFFFAOYSA-N
MW346.32 g/mol
LogP0.65
Rot. Bonds6

About N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide (PubChem CID 122252830) has the molecular formula C12H12F2N4O4S and a molecular weight of 346.32 g/mol. Its IUPAC name is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide
PubChem CID122252830
Molecular FormulaC12H12F2N4O4S
Molecular Weight346.32 g/mol
Exact Mass346.05
IUPAC NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2cc(F)ccc2F)nc(OC)n1
InChIInChI=1S/C12H12F2N4O4S/c1-21-11-16-10(17-12(18-11)22-2)6-15-23(19,20)9-5-7(13)3-4-8(9)14/h3-5,15H,6H2,1-2H3
InChIKeyWDECUAAKZGIJPV-UHFFFAOYSA-N
XLogP0.65
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253326
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122252837
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide
CID 121137821
5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 122253077
2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide
CID 67819553
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 121137624
2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207747
3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122252827
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide
CID 122252753
2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47155184
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide (CID 122252830) is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide is COc1nc(CNS(=O)(=O)c2cc(F)ccc2F)nc(OC)n1.
What is the InChIKey of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is WDECUAAKZGIJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O4S/c1-21-11-16-10(17-12(18-11)22-2)6-15-23(19,20)9-5-7(13)3-4-8(9)14/h3-5,15H,6H2,1-2H3.
What are the key properties of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide?
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 346.32 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 122252830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).