4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide

C17H17N5O2S — CID 72844304

IUPAC4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H17N5O2S/c18-25(23,24)14-6-4-13(5-7-14)8-11-20-17-21-12-9-16(22-17)15-3-1-2-10-19-15/h1-7,9-10,12H,8,11H2,(H2,18,23,24)(H,20,21,22)
InChIKeyNPMKXBGKMKZYED-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.84
Rot. Bonds6

About 4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide

4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 72844304) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID72844304
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H17N5O2S/c18-25(23,24)14-6-4-13(5-7-14)8-11-20-17-21-12-9-16(22-17)15-3-1-2-10-19-15/h1-7,9-10,12H,8,11H2,(H2,18,23,24)(H,20,21,22)
InChIKeyNPMKXBGKMKZYED-UHFFFAOYSA-N
XLogP1.84
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[[4-(butylamino)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 112882844
4-[2-[[2-(butylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112883036
4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 25211077
4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide
CID 157016797
4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 109297701
4-[2-(thieno[3,2-b]pyridin-7-ylamino)ethyl]benzenesulfonamide
CID 71871497
4-pyridin-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-2-amine
CID 74235069
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11660670
2-[2-[2-(2-phenylethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide
CID 139461992
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74248691
4-[2-(benzhydrylamino)ethyl]benzenesulfonamide
CID 7998765

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide (CID 72844304) is 4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2nccc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is NPMKXBGKMKZYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c18-25(23,24)14-6-4-13(5-7-14)8-11-20-17-21-12-9-16(22-17)15-3-1-2-10-19-15/h1-7,9-10,12H,8,11H2,(H2,18,23,24)(H,20,21,22).
What are the key properties of 4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 72844304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).