3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide

C20H19F2N5O2S — CID 122299454

IUPAC3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H19F2N5O2S/c21-15-10-16(22)12-19(11-15)30(28,29)25-17-13-23-20(24-14-17)27-8-6-26(7-9-27)18-4-2-1-3-5-18/h1-5,10-14,25H,6-9H2
InChIKeyNBQXQYTWKGPWHL-UHFFFAOYSA-N
MW431.47 g/mol
LogP2.88
Rot. Bonds5

About 3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide

3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide (PubChem CID 122299454) has the molecular formula C20H19F2N5O2S and a molecular weight of 431.47 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
PubChem CID122299454
Molecular FormulaC20H19F2N5O2S
Molecular Weight431.47 g/mol
Exact Mass431.12
IUPAC Name3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H19F2N5O2S/c21-15-10-16(22)12-19(11-15)30(28,29)25-17-13-23-20(24-14-17)27-8-6-26(7-9-27)18-4-2-1-3-5-18/h1-5,10-14,25H,6-9H2
InChIKeyNBQXQYTWKGPWHL-UHFFFAOYSA-N
XLogP2.88
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 91968264
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 91968227
1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
CID 122299488
2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide
CID 122299471
3,5-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259712
2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 71790187
5-fluoro-2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 71790232
N-[5-chloro-6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 86764546
4-bromo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298412
4-iodo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298411
4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 121112921
N-(6-amino-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 60791459

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide (CID 122299454) is 3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide is O=S(=O)(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
The InChIKey is NBQXQYTWKGPWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2S/c21-15-10-16(22)12-19(11-15)30(28,29)25-17-13-23-20(24-14-17)27-8-6-26(7-9-27)18-4-2-1-3-5-18/h1-5,10-14,25H,6-9H2.
What are the key properties of 3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide has a molecular weight of 431.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide is sourced from PubChem (CID 122299454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).