4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide

C18H20N6O2S — CID 24901723

IUPAC4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C3CC3)n2)cc1
InChIInChI=1S/C18H20N6O2S/c1-12-21-11-17(24(12)14-5-6-14)16-9-10-20-18(23-16)22-13-3-7-15(8-4-13)27(25,26)19-2/h3-4,7-11,14,19H,5-6H2,1-2H3,(H,20,22,23)
InChIKeyMZWCVBFANHIPTJ-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.64
Rot. Bonds6

About 4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide

4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide (PubChem CID 24901723) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is 4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide
PubChem CID24901723
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C3CC3)n2)cc1
InChIInChI=1S/C18H20N6O2S/c1-12-21-11-17(24(12)14-5-6-14)16-9-10-20-18(23-16)22-13-3-7-15(8-4-13)27(25,26)19-2/h3-4,7-11,14,19H,5-6H2,1-2H3,(H,20,22,23)
InChIKeyMZWCVBFANHIPTJ-UHFFFAOYSA-N
XLogP2.64
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide with MolForge

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Related Compounds

Sulfamerazine
CID 5325
Pf-05212377
CID 46203710
4-(2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)-2-pyrimidinamine
CID 16747683
DB-02197
CID 5288527
N-(2-Methoxyethyl)-4-((4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-YL)pyrimidin-2-YL)amino)benzenesulfonamide
CID 24963033
Sulfamerazine Sodium
CID 15899899
4-((4-(((1R,2R)-2-(dimethylamino)cyclopentyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-N-methylbenzenesulfonamide
CID 25920890
4-((2-Amino-4-pyrimidinyl)amino)benzenesulfonamide
CID 31036
2-[4-(N-(3-Dimethylaminopropyl)sulphamoyl)anilino]-
CID 5288595
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Sulfonamide deriv. 3a
CID 6539024
Sulfonamide deriv. 3b
CID 6539025

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide (CID 24901723) is 4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C3CC3)n2)cc1.
What is the InChIKey of 4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide?
The InChIKey is MZWCVBFANHIPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-12-21-11-17(24(12)14-5-6-14)16-9-10-20-18(23-16)22-13-3-7-15(8-4-13)27(25,26)19-2/h3-4,7-11,14,19H,5-6H2,1-2H3,(H,20,22,23).
What are the key properties of 4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide?
4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide has a molecular weight of 384.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 24901723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).