3-[(2-aminophenyl)methylsulfonylamino]benzamide

C14H15N3O3S — CID 62021088

IUPAC3-[(2-aminophenyl)methylsulfonylamino]benzamide
SMILESNC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2N)c1
InChIInChI=1S/C14H15N3O3S/c15-13-7-2-1-4-11(13)9-21(19,20)17-12-6-3-5-10(8-12)14(16)18/h1-8,17H,9,15H2,(H2,16,18)
InChIKeySJIBSPQUAUAMRL-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.31
Rot. Bonds5

About 3-[(2-aminophenyl)methylsulfonylamino]benzamide

3-[(2-aminophenyl)methylsulfonylamino]benzamide (PubChem CID 62021088) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[(2-aminophenyl)methylsulfonylamino]benzamide.

Molecular Properties

Compound Name3-[(2-aminophenyl)methylsulfonylamino]benzamide
PubChem CID62021088
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name3-[(2-aminophenyl)methylsulfonylamino]benzamide
SMILESNC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2N)c1
InChIInChI=1S/C14H15N3O3S/c15-13-7-2-1-4-11(13)9-21(19,20)17-12-6-3-5-10(8-12)14(16)18/h1-8,17H,9,15H2,(H2,16,18)
InChIKeySJIBSPQUAUAMRL-UHFFFAOYSA-N
XLogP1.31
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminophenyl)methylsulfonylamino]acetamide
CID 62021826
3-(sulfamoylamino)benzamide
CID 57051238
3-(benzylsulfonylamino)-N-phenylbenzamide
CID 166181432
3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539
N-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-fluorophenyl)methanesulfonamide
CID 99952589
CID 87855006
CID 87855006
2-amino-N-(3-carbamoylphenyl)benzamide
CID 43402945
1-(2-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide
CID 62021843
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
methyl 2-[(2-aminophenyl)methylsulfonylamino]propanoate
CID 62021871
1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide
CID 62021830
3-[(2-amino-4-fluorophenyl)sulfonylamino]benzamide
CID 61105800

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminophenyl)methylsulfonylamino]benzamide?
The IUPAC name of 3-[(2-aminophenyl)methylsulfonylamino]benzamide (CID 62021088) is 3-[(2-aminophenyl)methylsulfonylamino]benzamide.
What is the SMILES notation for 3-[(2-aminophenyl)methylsulfonylamino]benzamide?
The canonical SMILES for 3-[(2-aminophenyl)methylsulfonylamino]benzamide is NC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2N)c1.
What is the InChIKey of 3-[(2-aminophenyl)methylsulfonylamino]benzamide?
The InChIKey is SJIBSPQUAUAMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-13-7-2-1-4-11(13)9-21(19,20)17-12-6-3-5-10(8-12)14(16)18/h1-8,17H,9,15H2,(H2,16,18).
What are the key properties of 3-[(2-aminophenyl)methylsulfonylamino]benzamide?
3-[(2-aminophenyl)methylsulfonylamino]benzamide has a molecular weight of 305.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminophenyl)methylsulfonylamino]benzamide is sourced from PubChem (CID 62021088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).