2-amino-N-(2-sulfamoylethyl)benzamide

C9H13N3O3S — CID 43551552

IUPAC2-amino-N-(2-sulfamoylethyl)benzamide
SMILESNc1ccccc1C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C9H13N3O3S/c10-8-4-2-1-3-7(8)9(13)12-5-6-16(11,14)15/h1-4H,5-6,10H2,(H,12,13)(H2,11,14,15)
InChIKeyNOETXCIUNRMOFQ-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.71
Rot. Bonds4

About 2-amino-N-(2-sulfamoylethyl)benzamide

2-amino-N-(2-sulfamoylethyl)benzamide (PubChem CID 43551552) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-amino-N-(2-sulfamoylethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-sulfamoylethyl)benzamide
PubChem CID43551552
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-amino-N-(2-sulfamoylethyl)benzamide
SMILESNc1ccccc1C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C9H13N3O3S/c10-8-4-2-1-3-7(8)9(13)12-5-6-16(11,14)15/h1-4H,5-6,10H2,(H,12,13)(H2,11,14,15)
InChIKeyNOETXCIUNRMOFQ-UHFFFAOYSA-N
XLogP-0.71
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.71
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

N-(2-sulfamoylethyl)naphthalene-1-carboxamide
CID 61067529
3-amino-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 104741064
2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 119944537
2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 112699109
2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide
CID 62155502
2,6-dihydroxy-N-(2-sulfamoylethyl)benzamide
CID 103890316
5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide
CID 61094642
2-amino-N-dodecylbenzamide
CID 54099396
2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 103800076
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 115747449
2-amino-N-(2-phenylsulfanylethyl)benzamide
CID 60977100
2-amino-N-[(E)-pent-3-enyl]benzamide
CID 115976398

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-sulfamoylethyl)benzamide?
The IUPAC name of 2-amino-N-(2-sulfamoylethyl)benzamide (CID 43551552) is 2-amino-N-(2-sulfamoylethyl)benzamide.
What is the SMILES notation for 2-amino-N-(2-sulfamoylethyl)benzamide?
The canonical SMILES for 2-amino-N-(2-sulfamoylethyl)benzamide is Nc1ccccc1C(=O)NCCS(N)(=O)=O.
What is the InChIKey of 2-amino-N-(2-sulfamoylethyl)benzamide?
The InChIKey is NOETXCIUNRMOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c10-8-4-2-1-3-7(8)9(13)12-5-6-16(11,14)15/h1-4H,5-6,10H2,(H,12,13)(H2,11,14,15).
What are the key properties of 2-amino-N-(2-sulfamoylethyl)benzamide?
2-amino-N-(2-sulfamoylethyl)benzamide has a molecular weight of 243.29 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-sulfamoylethyl)benzamide is sourced from PubChem (CID 43551552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).