pyrrolo[2,3-d]pyrimidine-7-sulfonamide

C6H6N4O2S — CID 122648312

IUPACpyrrolo[2,3-d]pyrimidine-7-sulfonamide
SMILESNS(=O)(=O)n1ccc2cncnc21
InChIInChI=1S/C6H6N4O2S/c7-13(11,12)10-2-1-5-3-8-4-9-6(5)10/h1-4H,(H2,7,11,12)
InChIKeyVYDSUWKMJQIJNE-UHFFFAOYSA-N
MW198.21 g/mol
LogP-0.52
Rot. Bonds1

About pyrrolo[2,3-d]pyrimidine-7-sulfonamide

pyrrolo[2,3-d]pyrimidine-7-sulfonamide (PubChem CID 122648312) has the molecular formula C6H6N4O2S and a molecular weight of 198.21 g/mol. Its IUPAC name is pyrrolo[2,3-d]pyrimidine-7-sulfonamide.

Molecular Properties

Compound Namepyrrolo[2,3-d]pyrimidine-7-sulfonamide
PubChem CID122648312
Molecular FormulaC6H6N4O2S
Molecular Weight198.21 g/mol
Exact Mass198.02
IUPAC Namepyrrolo[2,3-d]pyrimidine-7-sulfonamide
SMILESNS(=O)(=O)n1ccc2cncnc21
InChIInChI=1S/C6H6N4O2S/c7-13(11,12)10-2-1-5-3-8-4-9-6(5)10/h1-4H,(H2,7,11,12)
InChIKeyVYDSUWKMJQIJNE-UHFFFAOYSA-N
XLogP-0.52
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;7-methylpyrrolo[2,3-d]pyrimidine
CID 155705341
7-ethylpyrrolo[2,3-d]pyrimidine
CID 69299985
methyl pyrrolo[2,3-d]pyrimidine-7-carboxylate
CID 175841453
(2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol
CID 131524978
8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 175780838
quinazoline-8-sulfonamide
CID 141414949
2-hydrazinylidene-3-pyrrolo[2,3-d]pyrimidin-7-ylpentan-1-imine
CID 163765987
3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol
CID 162768100
5-[(5-pyrrolo[2,3-d]pyrimidin-7-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione
CID 157423757
N-(4-bromophenyl)-N-methylpyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 141196436
8-(2-fluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 175774512
(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol
CID 143541297

Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,3-d]pyrimidine-7-sulfonamide?
The IUPAC name of pyrrolo[2,3-d]pyrimidine-7-sulfonamide (CID 122648312) is pyrrolo[2,3-d]pyrimidine-7-sulfonamide.
What is the SMILES notation for pyrrolo[2,3-d]pyrimidine-7-sulfonamide?
The canonical SMILES for pyrrolo[2,3-d]pyrimidine-7-sulfonamide is NS(=O)(=O)n1ccc2cncnc21.
What is the InChIKey of pyrrolo[2,3-d]pyrimidine-7-sulfonamide?
The InChIKey is VYDSUWKMJQIJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2S/c7-13(11,12)10-2-1-5-3-8-4-9-6(5)10/h1-4H,(H2,7,11,12).
What are the key properties of pyrrolo[2,3-d]pyrimidine-7-sulfonamide?
pyrrolo[2,3-d]pyrimidine-7-sulfonamide has a molecular weight of 198.21 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,3-d]pyrimidine-7-sulfonamide is sourced from PubChem (CID 122648312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).