4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide

C13H16N4O2S — CID 62747165

IUPAC4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
SMILESCc1nccc(CNc2cc(S(N)(=O)=O)ccc2C)n1
InChIInChI=1S/C13H16N4O2S/c1-9-3-4-12(20(14,18)19)7-13(9)16-8-11-5-6-15-10(2)17-11/h3-7,16H,8H2,1-2H3,(H2,14,18,19)
InChIKeyMNKXZGOMYZJBMZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.35
Rot. Bonds4

About 4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide

4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide (PubChem CID 62747165) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
PubChem CID62747165
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
SMILESCc1nccc(CNc2cc(S(N)(=O)=O)ccc2C)n1
InChIInChI=1S/C13H16N4O2S/c1-9-3-4-12(20(14,18)19)7-13(9)16-8-11-5-6-15-10(2)17-11/h3-7,16H,8H2,1-2H3,(H2,14,18,19)
InChIKeyMNKXZGOMYZJBMZ-UHFFFAOYSA-N
XLogP1.35
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
CID 62747707
4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43744201
N-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide
CID 62749463
N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
CID 62747342
2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine
CID 62749480
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747320
4-amino-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 61126991
3-[(4-cyanothiophen-2-yl)methylamino]-4-methylbenzenesulfonamide
CID 79613516
3-[(1-ethylpyrrol-3-yl)methylamino]-4-methylbenzenesulfonamide
CID 66414175
3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 43684711
4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide
CID 82900249
3-[(4-bromo-3-fluorophenyl)methylamino]-4-methylbenzenesulfonamide
CID 81432174

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide?
The IUPAC name of 4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide (CID 62747165) is 4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide is Cc1nccc(CNc2cc(S(N)(=O)=O)ccc2C)n1.
What is the InChIKey of 4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide?
The InChIKey is MNKXZGOMYZJBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9-3-4-12(20(14,18)19)7-13(9)16-8-11-5-6-15-10(2)17-11/h3-7,16H,8H2,1-2H3,(H2,14,18,19).
What are the key properties of 4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide?
4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 62747165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).