N-[4-(4-formamido-3-sulfamoylphenyl)sulfonylphenyl]formamide

C14H13N3O6S2 — CID 572652

IUPACN-[4-(4-formamido-3-sulfamoylphenyl)sulfonylphenyl]formamide
SMILESNS(=O)(=O)c1cc(S(=O)(=O)c2ccc(NC=O)cc2)ccc1NC=O
InChIInChI=1S/C14H13N3O6S2/c15-25(22,23)14-7-12(5-6-13(14)17-9-19)24(20,21)11-3-1-10(2-4-11)16-8-18/h1-9H,(H,16,18)(H,17,19)(H2,15,22,23)
InChIKeyKKUHEVHODMKHFH-UHFFFAOYSA-N
MW383.41 g/mol
LogP0.30
Rot. Bonds7

About N-[4-(4-formamido-3-sulfamoylphenyl)sulfonylphenyl]formamide

N-[4-(4-formamido-3-sulfamoylphenyl)sulfonylphenyl]formamide (PubChem CID 572652) has the molecular formula C14H13N3O6S2 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[4-(4-formamido-3-sulfamoylphenyl)sulfonylphenyl]formamide.

Molecular Properties

Compound NameN-[4-(4-formamido-3-sulfamoylphenyl)sulfonylphenyl]formamide
PubChem CID572652
Molecular FormulaC14H13N3O6S2
Molecular Weight383.41 g/mol
Exact Mass383.02
IUPAC NameN-[4-(4-formamido-3-sulfamoylphenyl)sulfonylphenyl]formamide
SMILESNS(=O)(=O)c1cc(S(=O)(=O)c2ccc(NC=O)cc2)ccc1NC=O
InChIInChI=1S/C14H13N3O6S2/c15-25(22,23)14-7-12(5-6-13(14)17-9-19)24(20,21)11-3-1-10(2-4-11)16-8-18/h1-9H,(H,16,18)(H,17,19)(H2,15,22,23)
InChIKeyKKUHEVHODMKHFH-UHFFFAOYSA-N
XLogP0.30
TPSA152.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-formamido-3-sulfamoylphenyl)sulfonylphenyl]formamide?
The IUPAC name of N-[4-(4-formamido-3-sulfamoylphenyl)sulfonylphenyl]formamide (CID 572652) is N-[4-(4-formamido-3-sulfamoylphenyl)sulfonylphenyl]formamide.
What is the SMILES notation for N-[4-(4-formamido-3-sulfamoylphenyl)sulfonylphenyl]formamide?
The canonical SMILES for N-[4-(4-formamido-3-sulfamoylphenyl)sulfonylphenyl]formamide is NS(=O)(=O)c1cc(S(=O)(=O)c2ccc(NC=O)cc2)ccc1NC=O.
What is the InChIKey of N-[4-(4-formamido-3-sulfamoylphenyl)sulfonylphenyl]formamide?
The InChIKey is KKUHEVHODMKHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O6S2/c15-25(22,23)14-7-12(5-6-13(14)17-9-19)24(20,21)11-3-1-10(2-4-11)16-8-18/h1-9H,(H,16,18)(H,17,19)(H2,15,22,23).
What are the key properties of N-[4-(4-formamido-3-sulfamoylphenyl)sulfonylphenyl]formamide?
N-[4-(4-formamido-3-sulfamoylphenyl)sulfonylphenyl]formamide has a molecular weight of 383.41 g/mol, XLogP of 0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-formamido-3-sulfamoylphenyl)sulfonylphenyl]formamide is sourced from PubChem (CID 572652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).