3-(carbamoylsulfinylamino)benzamide

C8H9N3O3S — CID 141122058

IUPAC3-(carbamoylsulfinylamino)benzamide
SMILESNC(=O)c1cccc(NS(=O)C(N)=O)c1
InChIInChI=1S/C8H9N3O3S/c9-7(12)5-2-1-3-6(4-5)11-15(14)8(10)13/h1-4,11H,(H2,9,12)(H2,10,13)
InChIKeyBJMUFNHVLZWFTJ-UHFFFAOYSA-N
MW227.25 g/mol
LogP-0.06
Rot. Bonds3

About 3-(carbamoylsulfinylamino)benzamide

3-(carbamoylsulfinylamino)benzamide (PubChem CID 141122058) has the molecular formula C8H9N3O3S and a molecular weight of 227.25 g/mol. Its IUPAC name is 3-(carbamoylsulfinylamino)benzamide.

Molecular Properties

Compound Name3-(carbamoylsulfinylamino)benzamide
PubChem CID141122058
Molecular FormulaC8H9N3O3S
Molecular Weight227.25 g/mol
Exact Mass227.04
IUPAC Name3-(carbamoylsulfinylamino)benzamide
SMILESNC(=O)c1cccc(NS(=O)C(N)=O)c1
InChIInChI=1S/C8H9N3O3S/c9-7(12)5-2-1-3-6(4-5)11-15(14)8(10)13/h1-4,11H,(H2,9,12)(H2,10,13)
InChIKeyBJMUFNHVLZWFTJ-UHFFFAOYSA-N
XLogP-0.06
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(methanesulfinamido)benzamide
CID 169217991
3-(methylamino)benzamide
CID 18727714
3-hydrazinylbenzamide;hydrochloride
CID 90487444
ethane;3-(methylamino)benzamide
CID 142071023
3-(sulfamoylamino)benzamide
CID 57051238
3-(cyanoamino)benzamide
CID 19926828
3-(trifluoromethylamino)benzamide
CID 150882306
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide
CID 65269739
3-carbamoylbenzenesulfinate
CID 90016444
3-[(3-amino-3-oxopropyl)amino]benzamide
CID 107811145
3-carbamoylbenzoic acid
CID 3014284
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylsulfinylamino)benzamide?
The IUPAC name of 3-(carbamoylsulfinylamino)benzamide (CID 141122058) is 3-(carbamoylsulfinylamino)benzamide.
What is the SMILES notation for 3-(carbamoylsulfinylamino)benzamide?
The canonical SMILES for 3-(carbamoylsulfinylamino)benzamide is NC(=O)c1cccc(NS(=O)C(N)=O)c1.
What is the InChIKey of 3-(carbamoylsulfinylamino)benzamide?
The InChIKey is BJMUFNHVLZWFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S/c9-7(12)5-2-1-3-6(4-5)11-15(14)8(10)13/h1-4,11H,(H2,9,12)(H2,10,13).
What are the key properties of 3-(carbamoylsulfinylamino)benzamide?
3-(carbamoylsulfinylamino)benzamide has a molecular weight of 227.25 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylsulfinylamino)benzamide is sourced from PubChem (CID 141122058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).