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

C18H23ClN6O3S — CID 122255045

IUPAC2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccccc1Cl
InChIInChI=1S/C18H23ClN6O3S/c19-14-5-1-2-6-15(14)29(26,27)20-13-16-21-17(24-7-3-4-8-24)23-18(22-16)25-9-11-28-12-10-25/h1-2,5-6,20H,3-4,7-13H2
InChIKeyIECBWJDZAPOZGP-UHFFFAOYSA-N
MW438.94 g/mol
LogP1.44
Rot. Bonds6

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

2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide (PubChem CID 122255045) has the molecular formula C18H23ClN6O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is 2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
PubChem CID122255045
Molecular FormulaC18H23ClN6O3S
Molecular Weight438.94 g/mol
Exact Mass438.12
IUPAC Name2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccccc1Cl
InChIInChI=1S/C18H23ClN6O3S/c19-14-5-1-2-6-15(14)29(26,27)20-13-16-21-17(24-7-3-4-8-24)23-18(22-16)25-9-11-28-12-10-25/h1-2,5-6,20H,3-4,7-13H2
InChIKeyIECBWJDZAPOZGP-UHFFFAOYSA-N
XLogP1.44
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 121138161
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
2-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122255058
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-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318153
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190635
2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253379
(E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]prop-2-enamide
CID 122255066
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]pyridine-2-carboxamide
CID 122255004

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide (CID 122255045) is 2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?
The InChIKey is IECBWJDZAPOZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O3S/c19-14-5-1-2-6-15(14)29(26,27)20-13-16-21-17(24-7-3-4-8-24)23-18(22-16)25-9-11-28-12-10-25/h1-2,5-6,20H,3-4,7-13H2.
What are the key properties of 2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?
2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 438.94 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122255045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).