N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide

C16H16N4O3S — CID 122308945

IUPACN-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1
InChIInChI=1S/C16H16N4O3S/c1-2-24(21,22)19-13-5-7-14(8-6-13)23-16-11-15(17-12-18-16)20-9-3-4-10-20/h3-12,19H,2H2,1H3
InChIKeyDYHCMFVZBVWSGA-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.82
Rot. Bonds6

About N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide

N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide (PubChem CID 122308945) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide
PubChem CID122308945
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1
InChIInChI=1S/C16H16N4O3S/c1-2-24(21,22)19-13-5-7-14(8-6-13)23-16-11-15(17-12-18-16)20-9-3-4-10-20/h3-12,19H,2H2,1H3
InChIKeyDYHCMFVZBVWSGA-UHFFFAOYSA-N
XLogP2.82
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-ethoxy-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309189
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide
CID 122311212
4-acetyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309101
5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide
CID 122309092
3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309116
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309037
2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309055
2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309067
1-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122309166
3-methoxy-1-methyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrazole-4-carboxamide
CID 122309030
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]butane-1-sulfonamide
CID 122311222

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide?
The IUPAC name of N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide (CID 122308945) is N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1.
What is the InChIKey of N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide?
The InChIKey is DYHCMFVZBVWSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-2-24(21,22)19-13-5-7-14(8-6-13)23-16-11-15(17-12-18-16)20-9-3-4-10-20/h3-12,19H,2H2,1H3.
What are the key properties of N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide?
N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide has a molecular weight of 344.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide is sourced from PubChem (CID 122308945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).