4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide

C17H13N5O2S — CID 11688891

IUPAC4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESN#Cc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C17H13N5O2S/c18-11-12-1-3-13(4-2-12)16-9-10-20-17(22-16)21-14-5-7-15(8-6-14)25(19,23)24/h1-10H,(H2,19,23,24)(H,20,21,22)
InChIKeyOJWRGMAUQLLPRI-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.41
Rot. Bonds4

About 4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 11688891) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is 4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID11688891
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC Name4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESN#Cc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C17H13N5O2S/c18-11-12-1-3-13(4-2-12)16-9-10-20-17(22-16)21-14-5-7-15(8-6-14)25(19,23)24/h1-10H,(H2,19,23,24)(H,20,21,22)
InChIKeyOJWRGMAUQLLPRI-UHFFFAOYSA-N
XLogP2.41
TPSA121.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11667571
4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11660670
4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 134146398
4-[[4-[5-[2-(4-aminophenyl)ethynyl]thiophen-2-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 11539619
4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 22273547
4-[[4-(3-phenyl-2,1-benzoxazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 10114338
4-[(4-formylpyrimidin-2-yl)amino]benzonitrile
CID 175239360
4-[2-[4-(1-methylimidazol-2-yl)sulfonylanilino]pyrimidin-4-yl]phenol
CID 135427983
4-[[4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzonitrile
CID 68568004
4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
CID 166436069
4-[[4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 10366169
4-(4-methylsulfonylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine
CID 59588103

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 11688891) is 4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide is N#Cc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is OJWRGMAUQLLPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c18-11-12-1-3-13(4-2-12)16-9-10-20-17(22-16)21-14-5-7-15(8-6-14)25(19,23)24/h1-10H,(H2,19,23,24)(H,20,21,22).
What are the key properties of 4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 351.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 11688891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).