2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide

C19H23N7O3S — CID 121138161

IUPAC2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H23N7O3S/c20-13-15-5-1-2-6-16(15)30(27,28)21-14-17-22-18(25-7-3-4-8-25)24-19(23-17)26-9-11-29-12-10-26/h1-2,5-6,21H,3-4,7-12,14H2
InChIKeyBFWUACZLLZHFIL-UHFFFAOYSA-N
MW429.51 g/mol
LogP0.66
Rot. Bonds6

About 2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide

2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide (PubChem CID 121138161) has the molecular formula C19H23N7O3S and a molecular weight of 429.51 g/mol. Its IUPAC name is 2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
PubChem CID121138161
Molecular FormulaC19H23N7O3S
Molecular Weight429.51 g/mol
Exact Mass429.16
IUPAC Name2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H23N7O3S/c20-13-15-5-1-2-6-16(15)30(27,28)21-14-17-22-18(25-7-3-4-8-25)24-19(23-17)26-9-11-29-12-10-26/h1-2,5-6,21H,3-4,7-12,14H2
InChIKeyBFWUACZLLZHFIL-UHFFFAOYSA-N
XLogP0.66
TPSA124.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122255045
2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353594
2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318009
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide
CID 122255050
2-methoxy-5-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122255042
5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide
CID 122255149
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-fluorobenzenesulfonamide
CID 119099669
2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253379
3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide
CID 122255164
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-4-phenylbenzamide
CID 122254981
2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 61061706
2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
CID 110722704

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide (CID 121138161) is 2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?
The InChIKey is BFWUACZLLZHFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3S/c20-13-15-5-1-2-6-16(15)30(27,28)21-14-17-22-18(25-7-3-4-8-25)24-19(23-17)26-9-11-29-12-10-26/h1-2,5-6,21H,3-4,7-12,14H2.
What are the key properties of 2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?
2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 429.51 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 121138161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).