N-[2-amino-4-(4-aminophenyl)sulfonylphenyl]acetamide

C14H15N3O3S — CID 5032842

IUPACN-[2-amino-4-(4-aminophenyl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1N
InChIInChI=1S/C14H15N3O3S/c1-9(18)17-14-7-6-12(8-13(14)16)21(19,20)11-4-2-10(15)3-5-11/h2-8H,15-16H2,1H3,(H,17,18)
InChIKeyYCMNWPRRMQGMOI-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.64
Rot. Bonds3

About N-[2-amino-4-(4-aminophenyl)sulfonylphenyl]acetamide

N-[2-amino-4-(4-aminophenyl)sulfonylphenyl]acetamide (PubChem CID 5032842) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[2-amino-4-(4-aminophenyl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-4-(4-aminophenyl)sulfonylphenyl]acetamide
PubChem CID5032842
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-[2-amino-4-(4-aminophenyl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1N
InChIInChI=1S/C14H15N3O3S/c1-9(18)17-14-7-6-12(8-13(14)16)21(19,20)11-4-2-10(15)3-5-11/h2-8H,15-16H2,1H3,(H,17,18)
InChIKeyYCMNWPRRMQGMOI-UHFFFAOYSA-N
XLogP1.64
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(4-aminophenyl)sulfonylphenyl]acetamide?
The IUPAC name of N-[2-amino-4-(4-aminophenyl)sulfonylphenyl]acetamide (CID 5032842) is N-[2-amino-4-(4-aminophenyl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[2-amino-4-(4-aminophenyl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[2-amino-4-(4-aminophenyl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1N.
What is the InChIKey of N-[2-amino-4-(4-aminophenyl)sulfonylphenyl]acetamide?
The InChIKey is YCMNWPRRMQGMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9(18)17-14-7-6-12(8-13(14)16)21(19,20)11-4-2-10(15)3-5-11/h2-8H,15-16H2,1H3,(H,17,18).
What are the key properties of N-[2-amino-4-(4-aminophenyl)sulfonylphenyl]acetamide?
N-[2-amino-4-(4-aminophenyl)sulfonylphenyl]acetamide has a molecular weight of 305.36 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(4-aminophenyl)sulfonylphenyl]acetamide is sourced from PubChem (CID 5032842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).