2,5-dichloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide

C17H21Cl2N5O3S — CID 121074892

IUPAC2,5-dichloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCc1nc(NCCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C17H21Cl2N5O3S/c1-12-22-16(11-17(23-12)24-6-8-27-9-7-24)20-4-5-21-28(25,26)15-10-13(18)2-3-14(15)19/h2-3,10-11,21H,4-9H2,1H3,(H,20,22,23)
InChIKeyZENBUAIRALKJAD-UHFFFAOYSA-N
MW446.36 g/mol
LogP2.32
Rot. Bonds7

About 2,5-dichloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide

2,5-dichloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 121074892) has the molecular formula C17H21Cl2N5O3S and a molecular weight of 446.36 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID121074892
Molecular FormulaC17H21Cl2N5O3S
Molecular Weight446.36 g/mol
Exact Mass445.07
IUPAC Name2,5-dichloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCc1nc(NCCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C17H21Cl2N5O3S/c1-12-22-16(11-17(23-12)24-6-8-27-9-7-24)20-4-5-21-28(25,26)15-10-13(18)2-3-14(15)19/h2-3,10-11,21H,4-9H2,1H3,(H,20,22,23)
InChIKeyZENBUAIRALKJAD-UHFFFAOYSA-N
XLogP2.32
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 50945553
2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 70702502
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1-phenylmethanesulfonamide
CID 50947326
1,3,5-trimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide
CID 122294278
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-4-nitrobenzenesulfonamide
CID 121074909
2,5-dichloro-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122327483
4-chloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700161
1-ethyl-2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122294298
1-(4-chlorophenyl)-3-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 121074997
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide
CID 122294281
5-chloro-2-methoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122308758
3-(3-chloro-4-fluorophenyl)-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122294239

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide (CID 121074892) is 2,5-dichloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide is Cc1nc(NCCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc(N2CCOCC2)n1.
What is the InChIKey of 2,5-dichloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is ZENBUAIRALKJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N5O3S/c1-12-22-16(11-17(23-12)24-6-8-27-9-7-24)20-4-5-21-28(25,26)15-10-13(18)2-3-14(15)19/h2-3,10-11,21H,4-9H2,1H3,(H,20,22,23).
What are the key properties of 2,5-dichloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
2,5-dichloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 446.36 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 121074892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).