1-(2-methylphenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea

C13H14N4O5S2 — CID 74766011

IUPAC1-(2-methylphenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea
SMILESCc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(S(N)(=O)=O)nc1
InChIInChI=1S/C13H14N4O5S2/c1-9-4-2-3-5-11(9)24(21,22)17-13(18)16-10-6-7-12(15-8-10)23(14,19)20/h2-8H,1H3,(H2,14,19,20)(H2,16,17,18)
InChIKeyFSPCZTCUVKLQSU-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.55
Rot. Bonds4

About 1-(2-methylphenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea

1-(2-methylphenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea (PubChem CID 74766011) has the molecular formula C13H14N4O5S2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-(2-methylphenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-methylphenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea
PubChem CID74766011
Molecular FormulaC13H14N4O5S2
Molecular Weight370.41 g/mol
Exact Mass370.04
IUPAC Name1-(2-methylphenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea
SMILESCc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(S(N)(=O)=O)nc1
InChIInChI=1S/C13H14N4O5S2/c1-9-4-2-3-5-11(9)24(21,22)17-13(18)16-10-6-7-12(15-8-10)23(14,19)20/h2-8H,1H3,(H2,14,19,20)(H2,16,17,18)
InChIKeyFSPCZTCUVKLQSU-UHFFFAOYSA-N
XLogP0.55
TPSA148.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea?
The IUPAC name of 1-(2-methylphenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea (CID 74766011) is 1-(2-methylphenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea.
What is the SMILES notation for 1-(2-methylphenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea?
The canonical SMILES for 1-(2-methylphenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea is Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(S(N)(=O)=O)nc1.
What is the InChIKey of 1-(2-methylphenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea?
The InChIKey is FSPCZTCUVKLQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5S2/c1-9-4-2-3-5-11(9)24(21,22)17-13(18)16-10-6-7-12(15-8-10)23(14,19)20/h2-8H,1H3,(H2,14,19,20)(H2,16,17,18).
What are the key properties of 1-(2-methylphenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea?
1-(2-methylphenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea has a molecular weight of 370.41 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)sulfonyl-3-(6-sulfamoyl-3-pyridinyl)urea is sourced from PubChem (CID 74766011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).