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

C14H19ClN6O2S — CID 122254003

IUPACN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide
SMILESCN(C)c1nc(CNS(=O)(=O)c2ccc(Cl)cc2)nc(N(C)C)n1
InChIInChI=1S/C14H19ClN6O2S/c1-20(2)13-17-12(18-14(19-13)21(3)4)9-16-24(22,23)11-7-5-10(15)6-8-11/h5-8,16H,9H2,1-4H3
InChIKeyKFUQJZOMFZLGKD-UHFFFAOYSA-N
MW370.87 g/mol
LogP1.14
Rot. Bonds6

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

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide (PubChem CID 122254003) has the molecular formula C14H19ClN6O2S and a molecular weight of 370.87 g/mol. Its IUPAC name is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide
PubChem CID122254003
Molecular FormulaC14H19ClN6O2S
Molecular Weight370.87 g/mol
Exact Mass370.10
IUPAC NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide
SMILESCN(C)c1nc(CNS(=O)(=O)c2ccc(Cl)cc2)nc(N(C)C)n1
InChIInChI=1S/C14H19ClN6O2S/c1-20(2)13-17-12(18-14(19-13)21(3)4)9-16-24(22,23)11-7-5-10(15)6-8-11/h5-8,16H,9H2,1-4H3
InChIKeyKFUQJZOMFZLGKD-UHFFFAOYSA-N
XLogP1.14
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 51.14
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
3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 122253095
5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 122253077
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 122254104
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 122254225
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 122254131
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide
CID 121137843
4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 110714673
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 122254127
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide
CID 91967734
4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 10540463
4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16890429

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide (CID 122254003) is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide is CN(C)c1nc(CNS(=O)(=O)c2ccc(Cl)cc2)nc(N(C)C)n1.
What is the InChIKey of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide?
The InChIKey is KFUQJZOMFZLGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6O2S/c1-20(2)13-17-12(18-14(19-13)21(3)4)9-16-24(22,23)11-7-5-10(15)6-8-11/h5-8,16H,9H2,1-4H3.
What are the key properties of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide?
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide has a molecular weight of 370.87 g/mol, XLogP of 1.14, 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-chlorobenzenesulfonamide is sourced from PubChem (CID 122254003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).