N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide

C15H21FN6O2S — CID 122254131

IUPACN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C15H21FN6O2S/c1-10-8-11(16)6-7-12(10)25(23,24)17-9-13-18-14(21(2)3)20-15(19-13)22(4)5/h6-8,17H,9H2,1-5H3
InChIKeyKRXWSDMPQSJJOQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP0.93
Rot. Bonds6

About N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 122254131) has the molecular formula C15H21FN6O2S and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID122254131
Molecular FormulaC15H21FN6O2S
Molecular Weight368.44 g/mol
Exact Mass368.14
IUPAC NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C15H21FN6O2S/c1-10-8-11(16)6-7-12(10)25(23,24)17-9-13-18-14(21(2)3)20-15(19-13)22(4)5/h6-8,17H,9H2,1-5H3
InChIKeyKRXWSDMPQSJJOQ-UHFFFAOYSA-N
XLogP0.93
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide
CID 121137926
N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide
CID 121137623
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 122295571
4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 110719618
4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102913112
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide
CID 122254003
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 122254104
4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672303
4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide
CID 121137821
N-[4-(dimethylamino)phenyl]-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113062231
N-(2-bromopropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114295737
4-fluoro-2-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
CID 110873477

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide (CID 122254131) is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCc1nc(N(C)C)nc(N(C)C)n1.
What is the InChIKey of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is KRXWSDMPQSJJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6O2S/c1-10-8-11(16)6-7-12(10)25(23,24)17-9-13-18-14(21(2)3)20-15(19-13)22(4)5/h6-8,17H,9H2,1-5H3.
What are the key properties of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 368.44 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 122254131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).