4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid

C18H15N3O6S2 — CID 4918646

IUPAC4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C18H15N3O6S2/c22-18(23)13-4-8-15(9-5-13)28(24,25)20-14-6-10-16(11-7-14)29(26,27)21-17-3-1-2-12-19-17/h1-12,20H,(H,19,21)(H,22,23)
InChIKeyKBUCSBLPAOYUON-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.38
Rot. Bonds7

About 4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid

4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid (PubChem CID 4918646) has the molecular formula C18H15N3O6S2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
PubChem CID4918646
Molecular FormulaC18H15N3O6S2
Molecular Weight433.47 g/mol
Exact Mass433.04
IUPAC Name4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C18H15N3O6S2/c22-18(23)13-4-8-15(9-5-13)28(24,25)20-14-6-10-16(11-7-14)29(26,27)21-17-3-1-2-12-19-17/h1-12,20H,(H,19,21)(H,22,23)
InChIKeyKBUCSBLPAOYUON-UHFFFAOYSA-N
XLogP2.38
TPSA142.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonamido)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 92677705
4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 53257044
3,4-dichloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078174
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92676052
3-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethynyl]benzoic acid
CID 56662701
6-(pyridin-2-ylsulfamoyl)pyridine-3-carboxylic acid
CID 63872213
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078179
4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide
CID 67330648
[4-(pyridin-2-ylsulfamoyl)phenyl]thiourea
CID 87842258
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid (CID 4918646) is 4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1.
What is the InChIKey of 4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid?
The InChIKey is KBUCSBLPAOYUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O6S2/c22-18(23)13-4-8-15(9-5-13)28(24,25)20-14-6-10-16(11-7-14)29(26,27)21-17-3-1-2-12-19-17/h1-12,20H,(H,19,21)(H,22,23).
What are the key properties of 4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid?
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid has a molecular weight of 433.47 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 4918646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).