4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide

C16H15N5O2S — CID 25211077

IUPAC4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H15N5O2S/c17-24(22,23)14-5-3-12(4-6-14)10-20-16-19-9-7-15(21-16)13-2-1-8-18-11-13/h1-9,11H,10H2,(H2,17,22,23)(H,19,20,21)
InChIKeyXLAYUKBUSAIAPP-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.80
Rot. Bonds5

About 4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide

4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide (PubChem CID 25211077) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide
PubChem CID25211077
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H15N5O2S/c17-24(22,23)14-5-3-12(4-6-14)10-20-16-19-9-7-15(21-16)13-2-1-8-18-11-13/h1-9,11H,10H2,(H2,17,22,23)(H,19,20,21)
InChIKeyXLAYUKBUSAIAPP-UHFFFAOYSA-N
XLogP1.80
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347156
4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzenesulfonamide;dihydrochloride
CID 19392360
2-(2-aminophenyl)-1-[4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]phenyl]ethanone
CID 58102011
4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 72844304
4-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]benzoic acid
CID 174551670
4-[[4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 10366169
4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11660670
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
CID 14346982
4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine
CID 133332712
4-[[(6-chloro-1-methyl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide
CID 156539601
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 62735276

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide (CID 25211077) is 4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1.
What is the InChIKey of 4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide?
The InChIKey is XLAYUKBUSAIAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c17-24(22,23)14-5-3-12(4-6-14)10-20-16-19-9-7-15(21-16)13-2-1-8-18-11-13/h1-9,11H,10H2,(H2,17,22,23)(H,19,20,21).
What are the key properties of 4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide?
4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide has a molecular weight of 341.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 25211077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).