N-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide

C13H16N4O3S — CID 62151716

IUPACN-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2ccccc2COC)cn1
InChIInChI=1S/C13H16N4O3S/c1-14-13-15-7-11(8-16-13)21(18,19)17-12-6-4-3-5-10(12)9-20-2/h3-8,17H,9H2,1-2H3,(H,14,15,16)
InChIKeyCRNRZPGVDDXTBU-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.47
Rot. Bonds6

About N-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide

N-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 62151716) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID62151716
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2ccccc2COC)cn1
InChIInChI=1S/C13H16N4O3S/c1-14-13-15-7-11(8-16-13)21(18,19)17-12-6-4-3-5-10(12)9-20-2/h3-8,17H,9H2,1-2H3,(H,14,15,16)
InChIKeyCRNRZPGVDDXTBU-UHFFFAOYSA-N
XLogP1.47
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 62999128
N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61249722
2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide
CID 47310105
N-[2-(methoxymethyl)phenyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106003230
5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64607514
6-amino-N-[2-(2-methoxyethyl)phenyl]pyridine-3-sulfonamide
CID 102903283
1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide
CID 63664132
N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62157229
N-(2,6-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62144941
2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide
CID 61052576
2-(methylamino)-N-(5-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 62150825
N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62143840

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide (CID 62151716) is N-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)Nc2ccccc2COC)cn1.
What is the InChIKey of N-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is CRNRZPGVDDXTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-14-13-15-7-11(8-16-13)21(18,19)17-12-6-4-3-5-10(12)9-20-2/h3-8,17H,9H2,1-2H3,(H,14,15,16).
What are the key properties of N-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide?
N-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62151716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).