3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide

C14H15FN4O2S — CID 91968227

IUPAC3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(N2CCCC2)nc1)c1cccc(F)c1
InChIInChI=1S/C14H15FN4O2S/c15-11-4-3-5-13(8-11)22(20,21)18-12-9-16-14(17-10-12)19-6-1-2-7-19/h3-5,8-10,18H,1-2,6-7H2
InChIKeyGEVRCWPRLWWHGR-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.02
Rot. Bonds4

About 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide

3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide (PubChem CID 91968227) has the molecular formula C14H15FN4O2S and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
PubChem CID91968227
Molecular FormulaC14H15FN4O2S
Molecular Weight322.37 g/mol
Exact Mass322.09
IUPAC Name3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(N2CCCC2)nc1)c1cccc(F)c1
InChIInChI=1S/C14H15FN4O2S/c15-11-4-3-5-13(8-11)22(20,21)18-12-9-16-14(17-10-12)19-6-1-2-7-19/h3-5,8-10,18H,1-2,6-7H2
InChIKeyGEVRCWPRLWWHGR-UHFFFAOYSA-N
XLogP2.02
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299454
5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298710
4-bromo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298412
4-iodo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298411
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91968299
N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide
CID 122301898
2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 71790187
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754
3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760
3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 133269920
3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 71790196
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 113253371

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide (CID 91968227) is 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide is O=S(=O)(Nc1cnc(N2CCCC2)nc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
The InChIKey is GEVRCWPRLWWHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2S/c15-11-4-3-5-13(8-11)22(20,21)18-12-9-16-14(17-10-12)19-6-1-2-7-19/h3-5,8-10,18H,1-2,6-7H2.
What are the key properties of 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide has a molecular weight of 322.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 91968227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).