1-[(4-methoxyphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea

C14H16N4O6S2 — CID 118710605

IUPAC1-[(4-methoxyphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
SMILESCOc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H16N4O6S2/c1-24-11-4-8-13(9-5-11)26(22,23)18-17-14(19)16-10-2-6-12(7-3-10)25(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19)
InChIKeyXLWRSEWDCQYEBB-UHFFFAOYSA-N
MW400.44 g/mol
LogP0.36
Rot. Bonds6

About 1-[(4-methoxyphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea

1-[(4-methoxyphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea (PubChem CID 118710605) has the molecular formula C14H16N4O6S2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
PubChem CID118710605
Molecular FormulaC14H16N4O6S2
Molecular Weight400.44 g/mol
Exact Mass400.05
IUPAC Name1-[(4-methoxyphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
SMILESCOc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H16N4O6S2/c1-24-11-4-8-13(9-5-11)26(22,23)18-17-14(19)16-10-2-6-12(7-3-10)25(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19)
InChIKeyXLWRSEWDCQYEBB-UHFFFAOYSA-N
XLogP0.36
TPSA156.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-(4-Butoxyphenyl)ureido)benzenesulfonamide
CID 50942416
3-(2-Methoxyphenyl)-1-(4-sulfamoylphenyl)urea
CID 307522
N4-Acetyl-N1-(4-methoxyphenyl)sulfanilamide
CID 289430
N-ethyl-4-({[(2-methoxyphenyl)amino]carbonyl}amino)benzenesulfonamide
CID 6470771
2-[(2,4-dimethoxyphenyl)sulfonyl]-N-(3-methoxyphenyl)hydrazinecarboxamide
CID 24818784
1-(4-Methoxyphenyl)-3-(4-(methylsulfonyl)phenyl)urea
CID 25110789
N-[4-[(4-methoxyanilino)sulfamoyl]phenyl]acetamide
CID 118706837
1-(4-Methoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea
CID 162659008
4-[(3-Methoxyphenyl)carbamamido]benzene-1-sulfonamide
CID 17488597
N-(2-ethoxyphenyl)-2-[(4-nitrophenyl)sulfonyl]hydrazinecarboxamide
CID 2207110
N-(4-{[(4-methoxyphenyl)sulfonyl]amino}phenyl)acetamide
CID 788783
2-{[4-(acetylamino)phenyl]sulfonyl}-N-(2-methoxy-5-methylphenyl)hydrazinecarboxamide
CID 2205372

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[(4-methoxyphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea (CID 118710605) is 1-[(4-methoxyphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[(4-methoxyphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea is COc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea?
The InChIKey is XLWRSEWDCQYEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O6S2/c1-24-11-4-8-13(9-5-11)26(22,23)18-17-14(19)16-10-2-6-12(7-3-10)25(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19).
What are the key properties of 1-[(4-methoxyphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea?
1-[(4-methoxyphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea has a molecular weight of 400.44 g/mol, XLogP of 0.36, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 118710605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).