1-(4-fluorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea

C12H11FN4O5S2 — CID 74766010

IUPAC1-(4-fluorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C12H11FN4O5S2/c13-8-1-4-10(5-2-8)24(21,22)17-12(18)16-9-3-6-11(15-7-9)23(14,19)20/h1-7H,(H2,14,19,20)(H2,16,17,18)
InChIKeyIQSPZQMMEJIGTG-UHFFFAOYSA-N
MW374.38 g/mol
LogP0.38
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea

1-(4-fluorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea (PubChem CID 74766010) has the molecular formula C12H11FN4O5S2 and a molecular weight of 374.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea
PubChem CID74766010
Molecular FormulaC12H11FN4O5S2
Molecular Weight374.38 g/mol
Exact Mass374.02
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C12H11FN4O5S2/c13-8-1-4-10(5-2-8)24(21,22)17-12(18)16-9-3-6-11(15-7-9)23(14,19)20/h1-7H,(H2,14,19,20)(H2,16,17,18)
InChIKeyIQSPZQMMEJIGTG-UHFFFAOYSA-N
XLogP0.38
TPSA148.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Fluorophenyl)-3-(3-pyridyl)urea
CID 853873
4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
N-3-Pyridylbenzenesulfonamide
CID 339079
5-Aminopyridine-2-sulfonamide
CID 22313850
5-({[(4-Chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-Sulfonamide
CID 74766009
5-({[(4-Methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-Sulfonamide
CID 73054728
5-({[(2-Methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-Sulfonamide
CID 74766011
1-[4-(Benzenesulfonyl)phenyl]-3-pyridin-3-ylurea
CID 66610600
4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 674996
1-(Pyridin-2-ylmethyl)-3-(4-sulfamoylphenyl)thiourea
CID 970570
N,N'-[(3-pyridinylimino)bis(sulfonyl-4,1-phenylene)]diacetamide
CID 2167915
4-[(3-Amino-2-pyridyl)amino]benzenesulfonamide
CID 28846439

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea (CID 74766010) is 1-(4-fluorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea is NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea?
The InChIKey is IQSPZQMMEJIGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O5S2/c13-8-1-4-10(5-2-8)24(21,22)17-12(18)16-9-3-6-11(15-7-9)23(14,19)20/h1-7H,(H2,14,19,20)(H2,16,17,18).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea?
1-(4-fluorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea has a molecular weight of 374.38 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea is sourced from PubChem (CID 74766010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).