N-[5-(4-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide

C23H16N4O3S — CID 170393219

IUPACN-[5-(4-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide
SMILESN#Cc1ccc(-c2cnc(NS(=O)(=O)c3ccccc3)nc2Oc2ccccc2)cc1
InChIInChI=1S/C23H16N4O3S/c24-15-17-11-13-18(14-12-17)21-16-25-23(26-22(21)30-19-7-3-1-4-8-19)27-31(28,29)20-9-5-2-6-10-20/h1-14,16H,(H,25,26,27)
InChIKeyFZLCYSGAKLQSML-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.61
Rot. Bonds6

About N-[5-(4-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide

N-[5-(4-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide (PubChem CID 170393219) has the molecular formula C23H16N4O3S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-[5-(4-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide
PubChem CID170393219
Molecular FormulaC23H16N4O3S
Molecular Weight428.47 g/mol
Exact Mass428.09
IUPAC NameN-[5-(4-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide
SMILESN#Cc1ccc(-c2cnc(NS(=O)(=O)c3ccccc3)nc2Oc2ccccc2)cc1
InChIInChI=1S/C23H16N4O3S/c24-15-17-11-13-18(14-12-17)21-16-25-23(26-22(21)30-19-7-3-1-4-8-19)27-31(28,29)20-9-5-2-6-10-20/h1-14,16H,(H,25,26,27)
InChIKeyFZLCYSGAKLQSML-UHFFFAOYSA-N
XLogP4.61
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[5-(2-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170393200
3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170393217
3-amino-N-[5-(2-methoxyphenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170393218
4-[2-(4-cyanoanilino)-5-phenylpyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
CID 160641297
N-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714189
4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide
CID 50844230
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394362
3-[(4-cyanophenyl)sulfonylamino]-4-phenoxybenzoic acid
CID 51135610
4-[4-[[4-[4-(4-cyanophenyl)anilino]-6-phenoxy-1,3,5-triazin-2-yl]amino]phenyl]benzonitrile
CID 146533029
N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide
CID 3735130
4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine
CID 70485810

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of N-[5-(4-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide (CID 170393219) is N-[5-(4-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide is N#Cc1ccc(-c2cnc(NS(=O)(=O)c3ccccc3)nc2Oc2ccccc2)cc1.
What is the InChIKey of N-[5-(4-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide?
The InChIKey is FZLCYSGAKLQSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3S/c24-15-17-11-13-18(14-12-17)21-16-25-23(26-22(21)30-19-7-3-1-4-8-19)27-31(28,29)20-9-5-2-6-10-20/h1-14,16H,(H,25,26,27).
What are the key properties of N-[5-(4-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide?
N-[5-(4-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide has a molecular weight of 428.47 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 170393219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).