3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide

C15H16F2N4O2S — CID 91967204

IUPAC3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccnc(N2CCCC2)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N4O2S/c16-13-4-3-12(9-14(13)17)24(22,23)19-10-11-5-6-18-15(20-11)21-7-1-2-8-21/h3-6,9,19H,1-2,7-8,10H2
InChIKeyYTSULDUMRILSFU-UHFFFAOYSA-N
MW354.38 g/mol
LogP1.83
Rot. Bonds5

About 3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide

3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide (PubChem CID 91967204) has the molecular formula C15H16F2N4O2S and a molecular weight of 354.38 g/mol. Its IUPAC name is 3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
PubChem CID91967204
Molecular FormulaC15H16F2N4O2S
Molecular Weight354.38 g/mol
Exact Mass354.10
IUPAC Name3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccnc(N2CCCC2)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N4O2S/c16-13-4-3-12(9-14(13)17)24(22,23)19-10-11-5-6-18-15(20-11)21-7-1-2-8-21/h3-6,9,19H,1-2,7-8,10H2
InChIKeyYTSULDUMRILSFU-UHFFFAOYSA-N
XLogP1.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352175
3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967301
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 91967327
4-cyano-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353301
3,4-difluoro-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583572
1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122352132
2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide
CID 122353268
5-chloro-2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353239
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122353295
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122353047
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidine-1-sulfonamide
CID 122353302
3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35388850

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide (CID 91967204) is 3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is YTSULDUMRILSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2S/c16-13-4-3-12(9-14(13)17)24(22,23)19-10-11-5-6-18-15(20-11)21-7-1-2-8-21/h3-6,9,19H,1-2,7-8,10H2.
What are the key properties of 3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 354.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 91967204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).