N-pyrimidin-5-ylmethanesulfonamide

C5H7N3O2S — CID 104856624

IUPACN-pyrimidin-5-ylmethanesulfonamide
SMILESCS(=O)(=O)Nc1cncnc1
InChIInChI=1S/C5H7N3O2S/c1-11(9,10)8-5-2-6-4-7-3-5/h2-4,8H,1H3
InChIKeyBSGJAEKILYAFSD-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.15
Rot. Bonds2

About N-pyrimidin-5-ylmethanesulfonamide

N-pyrimidin-5-ylmethanesulfonamide (PubChem CID 104856624) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is N-pyrimidin-5-ylmethanesulfonamide.

Molecular Properties

Compound NameN-pyrimidin-5-ylmethanesulfonamide
PubChem CID104856624
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC NameN-pyrimidin-5-ylmethanesulfonamide
SMILESCS(=O)(=O)Nc1cncnc1
InChIInChI=1S/C5H7N3O2S/c1-11(9,10)8-5-2-6-4-7-3-5/h2-4,8H,1H3
InChIKeyBSGJAEKILYAFSD-UHFFFAOYSA-N
XLogP-0.15
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-5-ylmethanesulfonamide?
The IUPAC name of N-pyrimidin-5-ylmethanesulfonamide (CID 104856624) is N-pyrimidin-5-ylmethanesulfonamide.
What is the SMILES notation for N-pyrimidin-5-ylmethanesulfonamide?
The canonical SMILES for N-pyrimidin-5-ylmethanesulfonamide is CS(=O)(=O)Nc1cncnc1.
What is the InChIKey of N-pyrimidin-5-ylmethanesulfonamide?
The InChIKey is BSGJAEKILYAFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-11(9,10)8-5-2-6-4-7-3-5/h2-4,8H,1H3.
What are the key properties of N-pyrimidin-5-ylmethanesulfonamide?
N-pyrimidin-5-ylmethanesulfonamide has a molecular weight of 173.20 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-5-ylmethanesulfonamide is sourced from PubChem (CID 104856624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).