N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide

C18H15F2N3O3S — CID 141437586

IUPACN-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide
SMILESCOCc1ncc(-c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc2)cn1
InChIInChI=1S/C18H15F2N3O3S/c1-26-11-18-21-9-13(10-22-18)12-2-5-15(6-3-12)27(24,25)23-17-8-14(19)4-7-16(17)20/h2-10,23H,11H2,1H3
InChIKeyNYBXSWQWWPDXBL-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.37
Rot. Bonds6

About N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide

N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide (PubChem CID 141437586) has the molecular formula C18H15F2N3O3S and a molecular weight of 391.40 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide
PubChem CID141437586
Molecular FormulaC18H15F2N3O3S
Molecular Weight391.40 g/mol
Exact Mass391.08
IUPAC NameN-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide
SMILESCOCc1ncc(-c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc2)cn1
InChIInChI=1S/C18H15F2N3O3S/c1-26-11-18-21-9-13(10-22-18)12-2-5-15(6-3-12)27(24,25)23-17-8-14(19)4-7-16(17)20/h2-10,23H,11H2,1H3
InChIKeyNYBXSWQWWPDXBL-UHFFFAOYSA-N
XLogP3.37
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide
CID 141468045
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
2,5-difluoro-4-[[4-[2-(methoxymethyl)pyrimidin-5-yl]phenyl]sulfonylmethyl]benzoic acid
CID 147978188
4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide
CID 43105533
5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812265
N-(2,5-difluorophenyl)naphthalene-2-sulfonamide
CID 22773480
N-[5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxyphenyl]propanamide
CID 28558028
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 30867560
N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide
CID 169371660
N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 24656665

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide (CID 141437586) is N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide is COCc1ncc(-c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc2)cn1.
What is the InChIKey of N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide?
The InChIKey is NYBXSWQWWPDXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3S/c1-26-11-18-21-9-13(10-22-18)12-2-5-15(6-3-12)27(24,25)23-17-8-14(19)4-7-16(17)20/h2-10,23H,11H2,1H3.
What are the key properties of N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide?
N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide has a molecular weight of 391.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide is sourced from PubChem (CID 141437586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).