3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide

C16H10F3N3O3S — CID 91968436

IUPAC3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H10F3N3O3S/c17-12-6-5-11(7-14(12)19)26(23,24)22-10-8-20-16(21-9-10)25-15-4-2-1-3-13(15)18/h1-9,22H
InChIKeyDRCRBTYYBNAHQI-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.49
Rot. Bonds5

About 3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide

3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide (PubChem CID 91968436) has the molecular formula C16H10F3N3O3S and a molecular weight of 381.34 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide
PubChem CID91968436
Molecular FormulaC16H10F3N3O3S
Molecular Weight381.34 g/mol
Exact Mass381.04
IUPAC Name3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H10F3N3O3S/c17-12-6-5-11(7-14(12)19)26(23,24)22-10-8-20-16(21-9-10)25-15-4-2-1-3-13(15)18/h1-9,22H
InChIKeyDRCRBTYYBNAHQI-UHFFFAOYSA-N
XLogP3.49
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide
CID 71799831
4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide
CID 122303147
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122303153
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122303163
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122303180
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302279
3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
CID 31912152
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide
CID 122303161
4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302290
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
CID 3702957

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide (CID 91968436) is 3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide is O=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide?
The InChIKey is DRCRBTYYBNAHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O3S/c17-12-6-5-11(7-14(12)19)26(23,24)22-10-8-20-16(21-9-10)25-15-4-2-1-3-13(15)18/h1-9,22H.
What are the key properties of 3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide?
3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide has a molecular weight of 381.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide is sourced from PubChem (CID 91968436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).