N,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide

C13H16N4O2S — CID 123424384

IUPACN,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESCc1ccnc(Nc2cccc(S(=O)(=O)N(C)C)c2)n1
InChIInChI=1S/C13H16N4O2S/c1-10-7-8-14-13(15-10)16-11-5-4-6-12(9-11)20(18,19)17(2)3/h4-9H,1-3H3,(H,14,15,16)
InChIKeyGBHUWCGFHQMYJY-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.78
Rot. Bonds4

About N,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide

N,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide (PubChem CID 123424384) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide
PubChem CID123424384
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESCc1ccnc(Nc2cccc(S(=O)(=O)N(C)C)c2)n1
InChIInChI=1S/C13H16N4O2S/c1-10-7-8-14-13(15-10)16-11-5-4-6-12(9-11)20(18,19)17(2)3/h4-9H,1-3H3,(H,14,15,16)
InChIKeyGBHUWCGFHQMYJY-UHFFFAOYSA-N
XLogP1.78
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 53475873
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
3-[[4-[(4,5-dimethyl-2-propylpyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 71233505
N,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 121475823
3-[[6-(3-ethylsulfonylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 159405176
N,N-dimethyl-3-[[2-[(2-methyl-1-phenylpropyl)amino]-3,4-dioxocyclobuten-1-yl]amino]benzenesulfonamide
CID 175022408
3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 139976080
N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 7062731
3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43715534
N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43425856
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
N-(2-methoxy-4-pyridinyl)-4-methylpyrimidin-2-amine
CID 66596222

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide (CID 123424384) is N,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide is Cc1ccnc(Nc2cccc(S(=O)(=O)N(C)C)c2)n1.
What is the InChIKey of N,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide?
The InChIKey is GBHUWCGFHQMYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-10-7-8-14-13(15-10)16-11-5-4-6-12(9-11)20(18,19)17(2)3/h4-9H,1-3H3,(H,14,15,16).
What are the key properties of N,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide?
N,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 123424384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).