4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide

C14H15N5O3S — CID 124522610

IUPAC4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide
SMILESN#Cc1c([C@H]2CCCO2)nn(-c2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C14H15N5O3S/c15-8-11-13(12-2-1-7-22-12)18-19(14(11)16)9-3-5-10(6-4-9)23(17,20)21/h3-6,12H,1-2,7,16H2,(H2,17,20,21)/t12-/m1/s1
InChIKeyOKWAFFUMXLATIM-GFCCVEGCSA-N
MW333.37 g/mol
LogP0.83
Rot. Bonds3

About 4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide

4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide (PubChem CID 124522610) has the molecular formula C14H15N5O3S and a molecular weight of 333.37 g/mol. Its IUPAC name is 4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide
PubChem CID124522610
Molecular FormulaC14H15N5O3S
Molecular Weight333.37 g/mol
Exact Mass333.09
IUPAC Name4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide
SMILESN#Cc1c([C@H]2CCCO2)nn(-c2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C14H15N5O3S/c15-8-11-13(12-2-1-7-22-12)18-19(14(11)16)9-3-5-10(6-4-9)23(17,20)21/h3-6,12H,1-2,7,16H2,(H2,17,20,21)/t12-/m1/s1
InChIKeyOKWAFFUMXLATIM-GFCCVEGCSA-N
XLogP0.83
TPSA137.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile
CID 22310054
5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile
CID 22310045
5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile
CID 22310036
5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile
CID 22310061
2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile
CID 130577599
1-(4-chlorophenyl)-5-(oxolan-2-yl)triazole-4-carbonitrile
CID 82200758
4-(3-cyclohexyl-4,5,6,7-tetrahydroindazol-2-yl)benzenesulfonamide
CID 10970415
3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile
CID 102825781
4-[[3,5-diamino-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide
CID 171344571
4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10133073
4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247383
5-amino-1-(4-fluorophenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795536

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide (CID 124522610) is 4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide is N#Cc1c([C@H]2CCCO2)nn(-c2ccc(S(N)(=O)=O)cc2)c1N.
What is the InChIKey of 4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide?
The InChIKey is OKWAFFUMXLATIM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15N5O3S/c15-8-11-13(12-2-1-7-22-12)18-19(14(11)16)9-3-5-10(6-4-9)23(17,20)21/h3-6,12H,1-2,7,16H2,(H2,17,20,21)/t12-/m1/s1.
What are the key properties of 4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide?
4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide has a molecular weight of 333.37 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 124522610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).