4-[2-(2-fluoro-5-methylanilino)pyrimidin-4-yl]benzenesulfonamide

C17H15FN4O2S — CID 52943026

IUPAC4-[2-(2-fluoro-5-methylanilino)pyrimidin-4-yl]benzenesulfonamide
SMILESCc1ccc(F)c(Nc2nccc(-c3ccc(S(N)(=O)=O)cc3)n2)c1
InChIInChI=1S/C17H15FN4O2S/c1-11-2-7-14(18)16(10-11)22-17-20-9-8-15(21-17)12-3-5-13(6-4-12)25(19,23)24/h2-10H,1H3,(H2,19,23,24)(H,20,21,22)
InChIKeyRQQPWZPNFCJSRC-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.98
Rot. Bonds4

About 4-[2-(2-fluoro-5-methylanilino)pyrimidin-4-yl]benzenesulfonamide

4-[2-(2-fluoro-5-methylanilino)pyrimidin-4-yl]benzenesulfonamide (PubChem CID 52943026) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-[2-(2-fluoro-5-methylanilino)pyrimidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-fluoro-5-methylanilino)pyrimidin-4-yl]benzenesulfonamide
PubChem CID52943026
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC Name4-[2-(2-fluoro-5-methylanilino)pyrimidin-4-yl]benzenesulfonamide
SMILESCc1ccc(F)c(Nc2nccc(-c3ccc(S(N)(=O)=O)cc3)n2)c1
InChIInChI=1S/C17H15FN4O2S/c1-11-2-7-14(18)16(10-11)22-17-20-9-8-15(21-17)12-3-5-13(6-4-12)25(19,23)24/h2-10H,1H3,(H2,19,23,24)(H,20,21,22)
InChIKeyRQQPWZPNFCJSRC-UHFFFAOYSA-N
XLogP2.98
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluoro-5-methylanilino)pyrimidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(2-fluoro-5-methylanilino)pyrimidin-4-yl]benzenesulfonamide (CID 52943026) is 4-[2-(2-fluoro-5-methylanilino)pyrimidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2-fluoro-5-methylanilino)pyrimidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(2-fluoro-5-methylanilino)pyrimidin-4-yl]benzenesulfonamide is Cc1ccc(F)c(Nc2nccc(-c3ccc(S(N)(=O)=O)cc3)n2)c1.
What is the InChIKey of 4-[2-(2-fluoro-5-methylanilino)pyrimidin-4-yl]benzenesulfonamide?
The InChIKey is RQQPWZPNFCJSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c1-11-2-7-14(18)16(10-11)22-17-20-9-8-15(21-17)12-3-5-13(6-4-12)25(19,23)24/h2-10H,1H3,(H2,19,23,24)(H,20,21,22).
What are the key properties of 4-[2-(2-fluoro-5-methylanilino)pyrimidin-4-yl]benzenesulfonamide?
4-[2-(2-fluoro-5-methylanilino)pyrimidin-4-yl]benzenesulfonamide has a molecular weight of 358.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluoro-5-methylanilino)pyrimidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 52943026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).