[carbamoyl(sulfinato)amino]oxycarbonylbenzene

C8H7N2O5S- — CID 174360087

IUPAC[carbamoyl(sulfinato)amino]oxycarbonylbenzene
SMILESNC(=O)N(OC(=O)c1ccccc1)S(=O)[O-]
InChIInChI=1S/C8H8N2O5S/c9-8(12)10(16(13)14)15-7(11)6-4-2-1-3-5-6/h1-5H,(H2,9,12)(H,13,14)/p-1
InChIKeyFKWKHUQUWSRHMW-UHFFFAOYSA-M
MW243.22 g/mol
LogP-0.07
Rot. Bonds2

About [carbamoyl(sulfinato)amino]oxycarbonylbenzene

[carbamoyl(sulfinato)amino]oxycarbonylbenzene (PubChem CID 174360087) has the molecular formula C8H7N2O5S- and a molecular weight of 243.22 g/mol. Its IUPAC name is [carbamoyl(sulfinato)amino]oxycarbonylbenzene.

Molecular Properties

Compound Name[carbamoyl(sulfinato)amino]oxycarbonylbenzene
PubChem CID174360087
Molecular FormulaC8H7N2O5S-
Molecular Weight243.22 g/mol
Exact Mass243.01
IUPAC Name[carbamoyl(sulfinato)amino]oxycarbonylbenzene
SMILESNC(=O)N(OC(=O)c1ccccc1)S(=O)[O-]
InChIInChI=1S/C8H8N2O5S/c9-8(12)10(16(13)14)15-7(11)6-4-2-1-3-5-6/h1-5H,(H2,9,12)(H,13,14)/p-1
InChIKeyFKWKHUQUWSRHMW-UHFFFAOYSA-M
XLogP-0.07
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

amino-[carbamoyloxy(sulfinato)amino]-oxomethane
CID 91237826
2-benzoyloxyethanesulfinate
CID 57142573
CID 23295394
CID 23295394
azanium benzenecarboperoxoate
CID 141076857
[tert-butyl(nitroso)amino] benzoate
CID 86098662
benzamido sulfite
CID 57230748
[(5-amino-5-oxopentanoyl)-methylamino] benzoate
CID 122661865
argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
CID 20524010
(sulfonylamino)methyl benzoate
CID 140531159
benzoyloxy(benzyl)carbamic acid
CID 88793521

Frequently Asked Questions

What is the IUPAC name of [carbamoyl(sulfinato)amino]oxycarbonylbenzene?
The IUPAC name of [carbamoyl(sulfinato)amino]oxycarbonylbenzene (CID 174360087) is [carbamoyl(sulfinato)amino]oxycarbonylbenzene.
What is the SMILES notation for [carbamoyl(sulfinato)amino]oxycarbonylbenzene?
The canonical SMILES for [carbamoyl(sulfinato)amino]oxycarbonylbenzene is NC(=O)N(OC(=O)c1ccccc1)S(=O)[O-].
What is the InChIKey of [carbamoyl(sulfinato)amino]oxycarbonylbenzene?
The InChIKey is FKWKHUQUWSRHMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8N2O5S/c9-8(12)10(16(13)14)15-7(11)6-4-2-1-3-5-6/h1-5H,(H2,9,12)(H,13,14)/p-1.
What are the key properties of [carbamoyl(sulfinato)amino]oxycarbonylbenzene?
[carbamoyl(sulfinato)amino]oxycarbonylbenzene has a molecular weight of 243.22 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [carbamoyl(sulfinato)amino]oxycarbonylbenzene is sourced from PubChem (CID 174360087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).