2-[[5-cyano-4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide

C17H13N5O3S — CID 175479280

IUPAC2-[[5-cyano-4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESN#Cc1cnc(Nc2ccccc2S(N)(=O)=O)nc1-c1ccc(O)cc1
InChIInChI=1S/C17H13N5O3S/c18-9-12-10-20-17(22-16(12)11-5-7-13(23)8-6-11)21-14-3-1-2-4-15(14)26(19,24)25/h1-8,10,23H,(H2,19,24,25)(H,20,21,22)
InChIKeyVZOJQJKMLVKSGH-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.11
Rot. Bonds4

About 2-[[5-cyano-4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide

2-[[5-cyano-4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 175479280) has the molecular formula C17H13N5O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-[[5-cyano-4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[[5-cyano-4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID175479280
Molecular FormulaC17H13N5O3S
Molecular Weight367.39 g/mol
Exact Mass367.07
IUPAC Name2-[[5-cyano-4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESN#Cc1cnc(Nc2ccccc2S(N)(=O)=O)nc1-c1ccc(O)cc1
InChIInChI=1S/C17H13N5O3S/c18-9-12-10-20-17(22-16(12)11-5-7-13(23)8-6-11)21-14-3-1-2-4-15(14)26(19,24)25/h1-8,10,23H,(H2,19,24,25)(H,20,21,22)
InChIKeyVZOJQJKMLVKSGH-UHFFFAOYSA-N
XLogP2.11
TPSA141.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyano-4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 2-[[5-cyano-4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 175479280) is 2-[[5-cyano-4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 2-[[5-cyano-4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 2-[[5-cyano-4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide is N#Cc1cnc(Nc2ccccc2S(N)(=O)=O)nc1-c1ccc(O)cc1.
What is the InChIKey of 2-[[5-cyano-4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is VZOJQJKMLVKSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3S/c18-9-12-10-20-17(22-16(12)11-5-7-13(23)8-6-11)21-14-3-1-2-4-15(14)26(19,24)25/h1-8,10,23H,(H2,19,24,25)(H,20,21,22).
What are the key properties of 2-[[5-cyano-4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
2-[[5-cyano-4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 367.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyano-4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 175479280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).