N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide

C14H18N4O2S — CID 62747342

IUPACN,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NCc2ccnc(C)n2)ccc1C
InChIInChI=1S/C14H18N4O2S/c1-10-4-5-12(8-14(10)21(19,20)15-3)17-9-13-6-7-16-11(2)18-13/h4-8,15,17H,9H2,1-3H3
InChIKeyNMPZIZUOUJTMEE-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.61
Rot. Bonds5

About N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide

N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide (PubChem CID 62747342) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
PubChem CID62747342
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NCc2ccnc(C)n2)ccc1C
InChIInChI=1S/C14H18N4O2S/c1-10-4-5-12(8-14(10)21(19,20)15-3)17-9-13-6-7-16-11(2)18-13/h4-8,15,17H,9H2,1-3H3
InChIKeyNMPZIZUOUJTMEE-UHFFFAOYSA-N
XLogP1.61
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62810194
N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 104821897
N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
CID 43717561
2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine
CID 62749480
N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide
CID 43717495
5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717522
4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747499
4-bromo-3-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 65435143
4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
CID 62747165
4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748569
3-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747500
N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 43717517

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide?
The IUPAC name of N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide (CID 62747342) is N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide is CNS(=O)(=O)c1cc(NCc2ccnc(C)n2)ccc1C.
What is the InChIKey of N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide?
The InChIKey is NMPZIZUOUJTMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10-4-5-12(8-14(10)21(19,20)15-3)17-9-13-6-7-16-11(2)18-13/h4-8,15,17H,9H2,1-3H3.
What are the key properties of N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide?
N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 62747342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).