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

C12H11ClN4O5S2 — CID 74766009

IUPAC1-(4-chlorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C12H11ClN4O5S2/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)
InChIKeyOBPYYKUIAZWAFC-UHFFFAOYSA-N
MW390.83 g/mol
LogP0.89
Rot. Bonds4

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

1-(4-chlorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea (PubChem CID 74766009) has the molecular formula C12H11ClN4O5S2 and a molecular weight of 390.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea
PubChem CID74766009
Molecular FormulaC12H11ClN4O5S2
Molecular Weight390.83 g/mol
Exact Mass389.99
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C12H11ClN4O5S2/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)
InChIKeyOBPYYKUIAZWAFC-UHFFFAOYSA-N
XLogP0.89
TPSA148.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea (CID 74766009) is 1-(4-chlorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea is NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cn1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea?
The InChIKey is OBPYYKUIAZWAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O5S2/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-chlorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea?
1-(4-chlorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea has a molecular weight of 390.83 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea is sourced from PubChem (CID 74766009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).