4-[(4-amino-5-cyanopyrimidin-2-yl)amino]benzenesulfonyl fluoride

C11H8FN5O2S — CID 22393274

IUPAC4-[(4-amino-5-cyanopyrimidin-2-yl)amino]benzenesulfonyl fluoride
SMILESN#Cc1cnc(Nc2ccc(S(=O)(=O)F)cc2)nc1N
InChIInChI=1S/C11H8FN5O2S/c12-20(18,19)9-3-1-8(2-4-9)16-11-15-6-7(5-13)10(14)17-11/h1-4,6H,(H3,14,15,16,17)
InChIKeyBEMPUVYZJSHCLL-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.33
Rot. Bonds3

About 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]benzenesulfonyl fluoride

4-[(4-amino-5-cyanopyrimidin-2-yl)amino]benzenesulfonyl fluoride (PubChem CID 22393274) has the molecular formula C11H8FN5O2S and a molecular weight of 293.28 g/mol. Its IUPAC name is 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-[(4-amino-5-cyanopyrimidin-2-yl)amino]benzenesulfonyl fluoride
PubChem CID22393274
Molecular FormulaC11H8FN5O2S
Molecular Weight293.28 g/mol
Exact Mass293.04
IUPAC Name4-[(4-amino-5-cyanopyrimidin-2-yl)amino]benzenesulfonyl fluoride
SMILESN#Cc1cnc(Nc2ccc(S(=O)(=O)F)cc2)nc1N
InChIInChI=1S/C11H8FN5O2S/c12-20(18,19)9-3-1-8(2-4-9)16-11-15-6-7(5-13)10(14)17-11/h1-4,6H,(H3,14,15,16,17)
InChIKeyBEMPUVYZJSHCLL-UHFFFAOYSA-N
XLogP1.33
TPSA121.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-4-aminopyrimidine-5-carbonitrile
CID 167855839
4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide
CID 167090124
CID 163850248
CID 163850248
4-[[4-amino-5-(5-chloropent-1-ynyl)pyrimidin-2-yl]amino]benzonitrile
CID 134527293
2-amino-5-[(6-methoxyquinazolin-2-yl)amino]benzonitrile
CID 141430956
4-[(5-cyano-4-prop-2-ynoxypyrimidin-2-yl)amino]-N-cyclopropylbenzenesulfonamide
CID 10155937
4-[[5-cyano-4-(2-hydroxycyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide
CID 171582037
4-[(5-cyano-4-propan-2-yloxypyrimidin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 10180071
4-amino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
CID 25020947
2-[4-[(4-amino-5-nitropyrimidin-2-yl)amino]-2-fluorophenoxy]benzonitrile
CID 133332520
4-amino-2-(prop-2-ynylamino)pyrimidine-5-carbonitrile
CID 155564399
5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 167517003

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]benzenesulfonyl fluoride?
The IUPAC name of 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]benzenesulfonyl fluoride (CID 22393274) is 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]benzenesulfonyl fluoride.
What is the SMILES notation for 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]benzenesulfonyl fluoride?
The canonical SMILES for 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]benzenesulfonyl fluoride is N#Cc1cnc(Nc2ccc(S(=O)(=O)F)cc2)nc1N.
What is the InChIKey of 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]benzenesulfonyl fluoride?
The InChIKey is BEMPUVYZJSHCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O2S/c12-20(18,19)9-3-1-8(2-4-9)16-11-15-6-7(5-13)10(14)17-11/h1-4,6H,(H3,14,15,16,17).
What are the key properties of 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]benzenesulfonyl fluoride?
4-[(4-amino-5-cyanopyrimidin-2-yl)amino]benzenesulfonyl fluoride has a molecular weight of 293.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]benzenesulfonyl fluoride is sourced from PubChem (CID 22393274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).