N-tert-butyl-5-[(2,5-dimethylpyrimidin-4-yl)amino]-2-methylbenzenesulfonamide

C17H24N4O2S — CID 145296716

IUPACN-tert-butyl-5-[(2,5-dimethylpyrimidin-4-yl)amino]-2-methylbenzenesulfonamide
SMILESCc1ncc(C)c(Nc2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)n1
InChIInChI=1S/C17H24N4O2S/c1-11-7-8-14(20-16-12(2)10-18-13(3)19-16)9-15(11)24(22,23)21-17(4,5)6/h7-10,21H,1-6H3,(H,18,19,20)
InChIKeyHUSQWHIDYMBJCU-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.22
Rot. Bonds4

About N-tert-butyl-5-[(2,5-dimethylpyrimidin-4-yl)amino]-2-methylbenzenesulfonamide

N-tert-butyl-5-[(2,5-dimethylpyrimidin-4-yl)amino]-2-methylbenzenesulfonamide (PubChem CID 145296716) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-tert-butyl-5-[(2,5-dimethylpyrimidin-4-yl)amino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-[(2,5-dimethylpyrimidin-4-yl)amino]-2-methylbenzenesulfonamide
PubChem CID145296716
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-tert-butyl-5-[(2,5-dimethylpyrimidin-4-yl)amino]-2-methylbenzenesulfonamide
SMILESCc1ncc(C)c(Nc2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)n1
InChIInChI=1S/C17H24N4O2S/c1-11-7-8-14(20-16-12(2)10-18-13(3)19-16)9-15(11)24(22,23)21-17(4,5)6/h7-10,21H,1-6H3,(H,18,19,20)
InChIKeyHUSQWHIDYMBJCU-UHFFFAOYSA-N
XLogP3.22
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[(2,5-dimethylpyrimidin-4-yl)amino]-2-methylbenzenesulfonamide?
The IUPAC name of N-tert-butyl-5-[(2,5-dimethylpyrimidin-4-yl)amino]-2-methylbenzenesulfonamide (CID 145296716) is N-tert-butyl-5-[(2,5-dimethylpyrimidin-4-yl)amino]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-5-[(2,5-dimethylpyrimidin-4-yl)amino]-2-methylbenzenesulfonamide?
The canonical SMILES for N-tert-butyl-5-[(2,5-dimethylpyrimidin-4-yl)amino]-2-methylbenzenesulfonamide is Cc1ncc(C)c(Nc2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)n1.
What is the InChIKey of N-tert-butyl-5-[(2,5-dimethylpyrimidin-4-yl)amino]-2-methylbenzenesulfonamide?
The InChIKey is HUSQWHIDYMBJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-11-7-8-14(20-16-12(2)10-18-13(3)19-16)9-15(11)24(22,23)21-17(4,5)6/h7-10,21H,1-6H3,(H,18,19,20).
What are the key properties of N-tert-butyl-5-[(2,5-dimethylpyrimidin-4-yl)amino]-2-methylbenzenesulfonamide?
N-tert-butyl-5-[(2,5-dimethylpyrimidin-4-yl)amino]-2-methylbenzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[(2,5-dimethylpyrimidin-4-yl)amino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 145296716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).