4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide

C18H15FN4O2S — CID 5337444

IUPAC4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3ccccc3F)n2)cc1
InChIInChI=1S/C18H15FN4O2S/c19-17-4-2-1-3-13(17)5-8-15-11-12-21-18(22-15)23-26(24,25)16-9-6-14(20)7-10-16/h1-12H,20H2,(H,21,22,23)/b8-5+
InChIKeyUAXCQFWZRNFFKO-VMPITWQZSA-N
MW370.41 g/mol
LogP3.17
Rot. Bonds5

About 4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide

4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide (PubChem CID 5337444) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
PubChem CID5337444
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC Name4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3ccccc3F)n2)cc1
InChIInChI=1S/C18H15FN4O2S/c19-17-4-2-1-3-13(17)5-8-15-11-12-21-18(22-15)23-26(24,25)16-9-6-14(20)7-10-16/h1-12H,20H2,(H,21,22,23)/b8-5+
InChIKeyUAXCQFWZRNFFKO-VMPITWQZSA-N
XLogP3.17
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Sulfadiazine
CID 5215
Sulfamerazine
CID 5325
Silver Sulfadiazine
CID 441244
Sulfaperin
CID 68933
N4-Acetylsulfamerazine
CID 67181
Sulfadiazine Sodium
CID 15899898
Sulfamerazine Sodium
CID 15899899
Gsk837149A
CID 57519517
Urea deriv. 20
CID 5329826
4-((2-Amino-4-pyrimidinyl)amino)benzenesulfonamide
CID 31036
N-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide
CID 67345149
US9676721, 32 2-cyano-1-({4-[(3,5-difluorobenzene)sulfonyl]phenyl}methyl)-3-(pyridin-4-yl)guanidine
CID 56929542

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide (CID 5337444) is 4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3ccccc3F)n2)cc1.
What is the InChIKey of 4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide?
The InChIKey is UAXCQFWZRNFFKO-VMPITWQZSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c19-17-4-2-1-3-13(17)5-8-15-11-12-21-18(22-15)23-26(24,25)16-9-6-14(20)7-10-16/h1-12H,20H2,(H,21,22,23)/b8-5+.
What are the key properties of 4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide?
4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide has a molecular weight of 370.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 5337444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).