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

C16H13ClN4O2S — CID 87660156

IUPAC4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride
SMILESCc1ccc(S(=O)(=O)Cl)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C16H13ClN4O2S/c1-11-4-5-13(24(17,22)23)9-15(11)21-16-19-8-6-14(20-16)12-3-2-7-18-10-12/h2-10H,1H3,(H,19,20,21)
InChIKeyDFKKBFHFUUWMPW-UHFFFAOYSA-N
MW360.83 g/mol
LogP3.52
Rot. Bonds4

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

4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride (PubChem CID 87660156) has the molecular formula C16H13ClN4O2S and a molecular weight of 360.83 g/mol. Its IUPAC name is 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride
PubChem CID87660156
Molecular FormulaC16H13ClN4O2S
Molecular Weight360.83 g/mol
Exact Mass360.04
IUPAC Name4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride
SMILESCc1ccc(S(=O)(=O)Cl)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C16H13ClN4O2S/c1-11-4-5-13(24(17,22)23)9-15(11)21-16-19-8-6-14(20-16)12-3-2-7-18-10-12/h2-10H,1H3,(H,19,20,21)
InChIKeyDFKKBFHFUUWMPW-UHFFFAOYSA-N
XLogP3.52
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-3-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]urea
CID 135393863
2-methyl-1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]butan-1-one
CID 90891668
N-(4-chlorophenyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11281472
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]butanamide
CID 20772083
methanesulfonic acid;4-methyl-1-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 174725368
4-methyl-3-N-(4-pyridin-3-ylpyrimidin-2-yl)-1-N-[1-[3-(trifluoromethylsulfonyl)phenyl]ethenyl]benzene-1,3-diamine
CID 143858777
N-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 67214313
4-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190731
2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 177190662
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3,5-bis(trifluoromethyl)benzamide;hydrobromide
CID 66555548
(E)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 71301684
N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine
CID 20772068

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride?
The IUPAC name of 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride (CID 87660156) is 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride?
The canonical SMILES for 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride is Cc1ccc(S(=O)(=O)Cl)cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride?
The InChIKey is DFKKBFHFUUWMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2S/c1-11-4-5-13(24(17,22)23)9-15(11)21-16-19-8-6-14(20-16)12-3-2-7-18-10-12/h2-10H,1H3,(H,19,20,21).
What are the key properties of 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride?
4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride has a molecular weight of 360.83 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 87660156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).