N-[4-(4-aminophenyl)sulfonylphenyl]formamide

C13H12N2O3S — CID 572763

IUPACN-[4-(4-aminophenyl)sulfonylphenyl]formamide
SMILESNc1ccc(S(=O)(=O)c2ccc(NC=O)cc2)cc1
InChIInChI=1S/C13H12N2O3S/c14-10-1-5-12(6-2-10)19(17,18)13-7-3-11(4-8-13)15-9-16/h1-9H,14H2,(H,15,16)
InChIKeyOUBLSNZSHXQKRB-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.67
Rot. Bonds4

About N-[4-(4-aminophenyl)sulfonylphenyl]formamide

N-[4-(4-aminophenyl)sulfonylphenyl]formamide (PubChem CID 572763) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)sulfonylphenyl]formamide.

Molecular Properties

Compound NameN-[4-(4-aminophenyl)sulfonylphenyl]formamide
PubChem CID572763
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-[4-(4-aminophenyl)sulfonylphenyl]formamide
SMILESNc1ccc(S(=O)(=O)c2ccc(NC=O)cc2)cc1
InChIInChI=1S/C13H12N2O3S/c14-10-1-5-12(6-2-10)19(17,18)13-7-3-11(4-8-13)15-9-16/h1-9H,14H2,(H,15,16)
InChIKeyOUBLSNZSHXQKRB-UHFFFAOYSA-N
XLogP1.67
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dapsone
CID 2955
Acedapsone
CID 6477
Monoacetyldapsone
CID 11257
Sulfoxone
CID 5351
Sulfoxone Sodium
CID 8954
Acediasulfone
CID 66451
4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
2-p-Sulfanilylanilinoethanol
CID 6622
Amidapsone
CID 66267
4-(4-Benzenesulfonylphenyl)piperazine
CID 5113605
1-(4-(Methylsulfonyl)phenyl)-3-phenylurea
CID 44447099
N,N'-(Sulfonyldi-4,1-phenylene)bis(formamide)
CID 23230

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenyl)sulfonylphenyl]formamide?
The IUPAC name of N-[4-(4-aminophenyl)sulfonylphenyl]formamide (CID 572763) is N-[4-(4-aminophenyl)sulfonylphenyl]formamide.
What is the SMILES notation for N-[4-(4-aminophenyl)sulfonylphenyl]formamide?
The canonical SMILES for N-[4-(4-aminophenyl)sulfonylphenyl]formamide is Nc1ccc(S(=O)(=O)c2ccc(NC=O)cc2)cc1.
What is the InChIKey of N-[4-(4-aminophenyl)sulfonylphenyl]formamide?
The InChIKey is OUBLSNZSHXQKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c14-10-1-5-12(6-2-10)19(17,18)13-7-3-11(4-8-13)15-9-16/h1-9H,14H2,(H,15,16).
What are the key properties of N-[4-(4-aminophenyl)sulfonylphenyl]formamide?
N-[4-(4-aminophenyl)sulfonylphenyl]formamide has a molecular weight of 276.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminophenyl)sulfonylphenyl]formamide is sourced from PubChem (CID 572763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).