3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide

C20H14F2N4O3S — CID 122309116

IUPAC3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H14F2N4O3S/c21-17-8-7-16(11-18(17)22)30(27,28)25-14-3-5-15(6-4-14)29-20-12-19(23-13-24-20)26-9-1-2-10-26/h1-13,25H
InChIKeyWFVPYGUKWQTNKA-UHFFFAOYSA-N
MW428.42 g/mol
LogP4.14
Rot. Bonds6

About 3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide

3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide (PubChem CID 122309116) has the molecular formula C20H14F2N4O3S and a molecular weight of 428.42 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
PubChem CID122309116
Molecular FormulaC20H14F2N4O3S
Molecular Weight428.42 g/mol
Exact Mass428.08
IUPAC Name3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H14F2N4O3S/c21-17-8-7-16(11-18(17)22)30(27,28)25-14-3-5-15(6-4-14)29-20-12-19(23-13-24-20)26-9-1-2-10-26/h1-13,25H
InChIKeyWFVPYGUKWQTNKA-UHFFFAOYSA-N
XLogP4.14
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-difluoro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309872
4-acetyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309101
N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide
CID 122308945
5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide
CID 122309092
4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309687
3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122311973
4-fluoro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312331
3-chloro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309917
3,5-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307934
4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122312186
5-bromo-2-ethoxy-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309189
4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307746

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide (CID 122309116) is 3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide?
The InChIKey is WFVPYGUKWQTNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O3S/c21-17-8-7-16(11-18(17)22)30(27,28)25-14-3-5-15(6-4-14)29-20-12-19(23-13-24-20)26-9-1-2-10-26/h1-13,25H.
What are the key properties of 3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide?
3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide has a molecular weight of 428.42 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 122309116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).