2-aminopyrimidine-5-sulfonyl chloride

C4H4ClN3O2S — CID 15885618

IUPAC2-aminopyrimidine-5-sulfonyl chloride
SMILESNc1ncc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C4H4ClN3O2S/c5-11(9,10)3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)
InChIKeyDMGWBLDZXCMCJN-UHFFFAOYSA-N
MW193.62 g/mol
LogP-0.01
Rot. Bonds1

About 2-aminopyrimidine-5-sulfonyl chloride

2-aminopyrimidine-5-sulfonyl chloride (PubChem CID 15885618) has the molecular formula C4H4ClN3O2S and a molecular weight of 193.62 g/mol. Its IUPAC name is 2-aminopyrimidine-5-sulfonyl chloride.

Molecular Properties

Compound Name2-aminopyrimidine-5-sulfonyl chloride
PubChem CID15885618
Molecular FormulaC4H4ClN3O2S
Molecular Weight193.62 g/mol
Exact Mass192.97
IUPAC Name2-aminopyrimidine-5-sulfonyl chloride
SMILESNc1ncc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C4H4ClN3O2S/c5-11(9,10)3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)
InChIKeyDMGWBLDZXCMCJN-UHFFFAOYSA-N
XLogP-0.01
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.62
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-aminopyrimidine-5-sulfonyl chloride?
The IUPAC name of 2-aminopyrimidine-5-sulfonyl chloride (CID 15885618) is 2-aminopyrimidine-5-sulfonyl chloride.
What is the SMILES notation for 2-aminopyrimidine-5-sulfonyl chloride?
The canonical SMILES for 2-aminopyrimidine-5-sulfonyl chloride is Nc1ncc(S(=O)(=O)Cl)cn1.
What is the InChIKey of 2-aminopyrimidine-5-sulfonyl chloride?
The InChIKey is DMGWBLDZXCMCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3O2S/c5-11(9,10)3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8).
What are the key properties of 2-aminopyrimidine-5-sulfonyl chloride?
2-aminopyrimidine-5-sulfonyl chloride has a molecular weight of 193.62 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyrimidine-5-sulfonyl chloride is sourced from PubChem (CID 15885618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).