1-(2,5-difluorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide

C17H20F2N4O2S — CID 122356720

IUPAC1-(2,5-difluorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide
SMILESCc1nc(N2CCCC2)nc(C)c1NS(=O)(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C17H20F2N4O2S/c1-11-16(12(2)21-17(20-11)23-7-3-4-8-23)22-26(24,25)10-13-9-14(18)5-6-15(13)19/h5-6,9,22H,3-4,7-8,10H2,1-2H3
InChIKeyDLYKURLSJJXHOK-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.91
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide

1-(2,5-difluorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide (PubChem CID 122356720) has the molecular formula C17H20F2N4O2S and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide
PubChem CID122356720
Molecular FormulaC17H20F2N4O2S
Molecular Weight382.44 g/mol
Exact Mass382.13
IUPAC Name1-(2,5-difluorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide
SMILESCc1nc(N2CCCC2)nc(C)c1NS(=O)(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C17H20F2N4O2S/c1-11-16(12(2)21-17(20-11)23-7-3-4-8-23)22-26(24,25)10-13-9-14(18)5-6-15(13)19/h5-6,9,22H,3-4,7-8,10H2,1-2H3
InChIKeyDLYKURLSJJXHOK-UHFFFAOYSA-N
XLogP2.91
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-difluorophenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
CID 122295785
1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide
CID 122356388
1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122352132
2-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333171
4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine
CID 95922903
1-(1,2-benzoxazol-3-yl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide
CID 122356741
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
CID 71807259
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide
CID 122356520
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122356712
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 71807329
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-fluoro-4-methoxybenzenesulfonamide
CID 122356980
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide
CID 71807242

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide (CID 122356720) is 1-(2,5-difluorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide is Cc1nc(N2CCCC2)nc(C)c1NS(=O)(=O)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide?
The InChIKey is DLYKURLSJJXHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2S/c1-11-16(12(2)21-17(20-11)23-7-3-4-8-23)22-26(24,25)10-13-9-14(18)5-6-15(13)19/h5-6,9,22H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide?
1-(2,5-difluorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide has a molecular weight of 382.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide is sourced from PubChem (CID 122356720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).