benzene;(carbamoylamino)sulfamic acid

C7H11N3O4S — CID 67847711

IUPACbenzene;(carbamoylamino)sulfamic acid
SMILESNC(=O)NNS(=O)(=O)O.c1ccccc1
InChIInChI=1S/C6H6.CH5N3O4S/c1-2-4-6-5-3-1;2-1(5)3-4-9(6,7)8/h1-6H;4H,(H3,2,3,5)(H,6,7,8)
InChIKeyLCVITPOZVHANGC-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.35
Rot. Bonds2

About benzene;(carbamoylamino)sulfamic acid

benzene;(carbamoylamino)sulfamic acid (PubChem CID 67847711) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is benzene;(carbamoylamino)sulfamic acid.

Molecular Properties

Compound Namebenzene;(carbamoylamino)sulfamic acid
PubChem CID67847711
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Namebenzene;(carbamoylamino)sulfamic acid
SMILESNC(=O)NNS(=O)(=O)O.c1ccccc1
InChIInChI=1S/C6H6.CH5N3O4S/c1-2-4-6-5-3-1;2-1(5)3-4-9(6,7)8/h1-6H;4H,(H3,2,3,5)(H,6,7,8)
InChIKeyLCVITPOZVHANGC-UHFFFAOYSA-N
XLogP-0.35
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene;(carbamoylamino)sulfamic acid?
The IUPAC name of benzene;(carbamoylamino)sulfamic acid (CID 67847711) is benzene;(carbamoylamino)sulfamic acid.
What is the SMILES notation for benzene;(carbamoylamino)sulfamic acid?
The canonical SMILES for benzene;(carbamoylamino)sulfamic acid is NC(=O)NNS(=O)(=O)O.c1ccccc1.
What is the InChIKey of benzene;(carbamoylamino)sulfamic acid?
The InChIKey is LCVITPOZVHANGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CH5N3O4S/c1-2-4-6-5-3-1;2-1(5)3-4-9(6,7)8/h1-6H;4H,(H3,2,3,5)(H,6,7,8).
What are the key properties of benzene;(carbamoylamino)sulfamic acid?
benzene;(carbamoylamino)sulfamic acid has a molecular weight of 233.25 g/mol, XLogP of -0.35, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;(carbamoylamino)sulfamic acid is sourced from PubChem (CID 67847711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).