2-cyano-N-pyrimidin-5-ylbenzenesulfonamide

C11H8N4O2S — CID 104856654

IUPAC2-cyano-N-pyrimidin-5-ylbenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C11H8N4O2S/c12-5-9-3-1-2-4-11(9)18(16,17)15-10-6-13-8-14-7-10/h1-4,6-8,15H
InChIKeyWVPGZDVCPCZWOP-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.15
Rot. Bonds3

About 2-cyano-N-pyrimidin-5-ylbenzenesulfonamide

2-cyano-N-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 104856654) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-cyano-N-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-pyrimidin-5-ylbenzenesulfonamide
PubChem CID104856654
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name2-cyano-N-pyrimidin-5-ylbenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C11H8N4O2S/c12-5-9-3-1-2-4-11(9)18(16,17)15-10-6-13-8-14-7-10/h1-4,6-8,15H
InChIKeyWVPGZDVCPCZWOP-UHFFFAOYSA-N
XLogP1.15
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-cyanobenzenesulfonamide
CID 40655133
N-(3-amino-4-methylphenyl)-2-cyanobenzenesulfonamide
CID 29287347
2-cyano-N-(2-phenylphenyl)benzenesulfonamide
CID 26979564
2-(2-cyanophenyl)sulfonylbenzonitrile
CID 18934243
2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2579215
2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide
CID 110777228
2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604300
2-cyano-N-cyclopropylbenzenesulfonamide
CID 7320664
2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705303
N-(3-amino-2,6-dimethylphenyl)-2-cyanobenzenesulfonamide
CID 29271568
2-cyano-N-(2-phenoxyphenyl)benzenesulfonamide
CID 26980043
8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide
CID 629814

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of 2-cyano-N-pyrimidin-5-ylbenzenesulfonamide (CID 104856654) is 2-cyano-N-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for 2-cyano-N-pyrimidin-5-ylbenzenesulfonamide is N#Cc1ccccc1S(=O)(=O)Nc1cncnc1.
What is the InChIKey of 2-cyano-N-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is WVPGZDVCPCZWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c12-5-9-3-1-2-4-11(9)18(16,17)15-10-6-13-8-14-7-10/h1-4,6-8,15H.
What are the key properties of 2-cyano-N-pyrimidin-5-ylbenzenesulfonamide?
2-cyano-N-pyrimidin-5-ylbenzenesulfonamide has a molecular weight of 260.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 104856654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).