N-tert-butyl-2-[6-(methoxymethyl)pyrimidin-4-yl]benzenesulfonamide

C16H21N3O3S — CID 74239242

IUPACN-tert-butyl-2-[6-(methoxymethyl)pyrimidin-4-yl]benzenesulfonamide
SMILESCOCc1cc(-c2ccccc2S(=O)(=O)NC(C)(C)C)ncn1
InChIInChI=1S/C16H21N3O3S/c1-16(2,3)19-23(20,21)15-8-6-5-7-13(15)14-9-12(10-22-4)17-11-18-14/h5-9,11,19H,10H2,1-4H3
InChIKeyPYEIXBSMAWVYIT-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.37
Rot. Bonds5

About N-tert-butyl-2-[6-(methoxymethyl)pyrimidin-4-yl]benzenesulfonamide

N-tert-butyl-2-[6-(methoxymethyl)pyrimidin-4-yl]benzenesulfonamide (PubChem CID 74239242) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-tert-butyl-2-[6-(methoxymethyl)pyrimidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-[6-(methoxymethyl)pyrimidin-4-yl]benzenesulfonamide
PubChem CID74239242
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-tert-butyl-2-[6-(methoxymethyl)pyrimidin-4-yl]benzenesulfonamide
SMILESCOCc1cc(-c2ccccc2S(=O)(=O)NC(C)(C)C)ncn1
InChIInChI=1S/C16H21N3O3S/c1-16(2,3)19-23(20,21)15-8-6-5-7-13(15)14-9-12(10-22-4)17-11-18-14/h5-9,11,19H,10H2,1-4H3
InChIKeyPYEIXBSMAWVYIT-UHFFFAOYSA-N
XLogP2.37
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[6-(methoxymethyl)pyrimidin-4-yl]benzenesulfonamide?
The IUPAC name of N-tert-butyl-2-[6-(methoxymethyl)pyrimidin-4-yl]benzenesulfonamide (CID 74239242) is N-tert-butyl-2-[6-(methoxymethyl)pyrimidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-[6-(methoxymethyl)pyrimidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-[6-(methoxymethyl)pyrimidin-4-yl]benzenesulfonamide is COCc1cc(-c2ccccc2S(=O)(=O)NC(C)(C)C)ncn1.
What is the InChIKey of N-tert-butyl-2-[6-(methoxymethyl)pyrimidin-4-yl]benzenesulfonamide?
The InChIKey is PYEIXBSMAWVYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-16(2,3)19-23(20,21)15-8-6-5-7-13(15)14-9-12(10-22-4)17-11-18-14/h5-9,11,19H,10H2,1-4H3.
What are the key properties of N-tert-butyl-2-[6-(methoxymethyl)pyrimidin-4-yl]benzenesulfonamide?
N-tert-butyl-2-[6-(methoxymethyl)pyrimidin-4-yl]benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[6-(methoxymethyl)pyrimidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 74239242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).