carbamoyl(pyridine-2-carbonyl)sulfamic acid

C7H7N3O5S — CID 90376173

IUPACcarbamoyl(pyridine-2-carbonyl)sulfamic acid
SMILESNC(=O)N(C(=O)c1ccccn1)S(=O)(=O)O
InChIInChI=1S/C7H7N3O5S/c8-7(12)10(16(13,14)15)6(11)5-3-1-2-4-9-5/h1-4H,(H2,8,12)(H,13,14,15)
InChIKeyQYZMULCHLILVTO-UHFFFAOYSA-N
MW245.22 g/mol
LogP-0.59
Rot. Bonds2

About carbamoyl(pyridine-2-carbonyl)sulfamic acid

carbamoyl(pyridine-2-carbonyl)sulfamic acid (PubChem CID 90376173) has the molecular formula C7H7N3O5S and a molecular weight of 245.22 g/mol. Its IUPAC name is carbamoyl(pyridine-2-carbonyl)sulfamic acid.

Molecular Properties

Compound Namecarbamoyl(pyridine-2-carbonyl)sulfamic acid
PubChem CID90376173
Molecular FormulaC7H7N3O5S
Molecular Weight245.22 g/mol
Exact Mass245.01
IUPAC Namecarbamoyl(pyridine-2-carbonyl)sulfamic acid
SMILESNC(=O)N(C(=O)c1ccccn1)S(=O)(=O)O
InChIInChI=1S/C7H7N3O5S/c8-7(12)10(16(13,14)15)6(11)5-3-1-2-4-9-5/h1-4H,(H2,8,12)(H,13,14,15)
InChIKeyQYZMULCHLILVTO-UHFFFAOYSA-N
XLogP-0.59
TPSA130.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[pyridine-2-carbonyl(sulfomethyl)amino]methanesulfonic acid
CID 90695309
N-methylpyridine-2-carbohydrazide
CID 45084309
N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517
lithium pyridine-2-carbonylazanide
CID 87752623
N'-aminopyridine-2-carboximidamide
CID 5464234
ethane;molecular hydrogen;pyridine-2-carboxamide
CID 145071770
(Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one
CID 70332424
gadolinium;pyridine-2-carboxylic acid
CID 175231422
acetyl bromide;pyridine-2-carboxamide
CID 175817538
(2Z)-2-hydroxyimino-2-pyridin-2-ylacetamide
CID 140560701
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 175246691
CID 175246691

Frequently Asked Questions

What is the IUPAC name of carbamoyl(pyridine-2-carbonyl)sulfamic acid?
The IUPAC name of carbamoyl(pyridine-2-carbonyl)sulfamic acid (CID 90376173) is carbamoyl(pyridine-2-carbonyl)sulfamic acid.
What is the SMILES notation for carbamoyl(pyridine-2-carbonyl)sulfamic acid?
The canonical SMILES for carbamoyl(pyridine-2-carbonyl)sulfamic acid is NC(=O)N(C(=O)c1ccccn1)S(=O)(=O)O.
What is the InChIKey of carbamoyl(pyridine-2-carbonyl)sulfamic acid?
The InChIKey is QYZMULCHLILVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O5S/c8-7(12)10(16(13,14)15)6(11)5-3-1-2-4-9-5/h1-4H,(H2,8,12)(H,13,14,15).
What are the key properties of carbamoyl(pyridine-2-carbonyl)sulfamic acid?
carbamoyl(pyridine-2-carbonyl)sulfamic acid has a molecular weight of 245.22 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl(pyridine-2-carbonyl)sulfamic acid is sourced from PubChem (CID 90376173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).