N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide

C25H25N5O3S — CID 122288208

IUPACN-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide
SMILESCc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2)n1
InChIInChI=1S/C25H25N5O3S/c1-18-17-24(30-13-15-33-16-14-30)28-25(26-18)27-20-9-11-21(12-10-20)29-34(31,32)23-8-4-6-19-5-2-3-7-22(19)23/h2-12,17,29H,13-16H2,1H3,(H,26,27,28)
InChIKeyRBFGIESLAJLOMN-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.32
Rot. Bonds6

About N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide

N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide (PubChem CID 122288208) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide
PubChem CID122288208
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC NameN-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide
SMILESCc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2)n1
InChIInChI=1S/C25H25N5O3S/c1-18-17-24(30-13-15-33-16-14-30)28-25(26-18)27-20-9-11-21(12-10-20)29-34(31,32)23-8-4-6-19-5-2-3-7-22(19)23/h2-12,17,29H,13-16H2,1H3,(H,26,27,28)
InChIKeyRBFGIESLAJLOMN-UHFFFAOYSA-N
XLogP4.32
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27475758
2,5-dimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27487631
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-1,2-dihydroacenaphthylene-3-sulfonamide
CID 44826898
3-acetyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 122288188
(E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide
CID 122288185
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122288193
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122288226
3-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 44826889
2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 122288135
2,6-difluoro-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 122287691
4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine
CID 44526921
3,4-dimethyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27510286

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide (CID 122288208) is N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide is Cc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2)n1.
What is the InChIKey of N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide?
The InChIKey is RBFGIESLAJLOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-18-17-24(30-13-15-33-16-14-30)28-25(26-18)27-20-9-11-21(12-10-20)29-34(31,32)23-8-4-6-19-5-2-3-7-22(19)23/h2-12,17,29H,13-16H2,1H3,(H,26,27,28).
What are the key properties of N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide?
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide has a molecular weight of 475.57 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 122288208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).