N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]pyridine-3-sulfonamide

C14H16N4O2S — CID 86790768

IUPACN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]pyridine-3-sulfonamide
SMILESCc1ccnc(C(NS(=O)(=O)c2cccnc2)C2CC2)n1
InChIInChI=1S/C14H16N4O2S/c1-10-6-8-16-14(17-10)13(11-4-5-11)18-21(19,20)12-3-2-7-15-9-12/h2-3,6-9,11,13,18H,4-5H2,1H3
InChIKeyCEJGLZYEIJLXMD-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.61
Rot. Bonds5

About N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]pyridine-3-sulfonamide

N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]pyridine-3-sulfonamide (PubChem CID 86790768) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]pyridine-3-sulfonamide
PubChem CID86790768
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]pyridine-3-sulfonamide
SMILESCc1ccnc(C(NS(=O)(=O)c2cccnc2)C2CC2)n1
InChIInChI=1S/C14H16N4O2S/c1-10-6-8-16-14(17-10)13(11-4-5-11)18-21(19,20)12-3-2-7-15-9-12/h2-3,6-9,11,13,18H,4-5H2,1H3
InChIKeyCEJGLZYEIJLXMD-UHFFFAOYSA-N
XLogP1.61
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]pyridine-3-sulfonamide (CID 86790768) is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]pyridine-3-sulfonamide is Cc1ccnc(C(NS(=O)(=O)c2cccnc2)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is CEJGLZYEIJLXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-10-6-8-16-14(17-10)13(11-4-5-11)18-21(19,20)12-3-2-7-15-9-12/h2-3,6-9,11,13,18H,4-5H2,1H3.
What are the key properties of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]pyridine-3-sulfonamide?
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 304.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 86790768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).