1-[carbamoyl(sulfinato)carbamoyl]naphthalene

C12H9N2O4S- — CID 174669663

IUPAC1-[carbamoyl(sulfinato)carbamoyl]naphthalene
SMILESNC(=O)N(C(=O)c1cccc2ccccc12)S(=O)[O-]
InChIInChI=1S/C12H10N2O4S/c13-12(16)14(19(17)18)11(15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,13,16)(H,17,18)/p-1
InChIKeyATZYPEMNPYTPJG-UHFFFAOYSA-M
MW277.28 g/mol
LogP1.15
Rot. Bonds2

About 1-[carbamoyl(sulfinato)carbamoyl]naphthalene

1-[carbamoyl(sulfinato)carbamoyl]naphthalene (PubChem CID 174669663) has the molecular formula C12H9N2O4S- and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-[carbamoyl(sulfinato)carbamoyl]naphthalene.

Molecular Properties

Compound Name1-[carbamoyl(sulfinato)carbamoyl]naphthalene
PubChem CID174669663
Molecular FormulaC12H9N2O4S-
Molecular Weight277.28 g/mol
Exact Mass277.03
IUPAC Name1-[carbamoyl(sulfinato)carbamoyl]naphthalene
SMILESNC(=O)N(C(=O)c1cccc2ccccc12)S(=O)[O-]
InChIInChI=1S/C12H10N2O4S/c13-12(16)14(19(17)18)11(15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,13,16)(H,17,18)/p-1
InChIKeyATZYPEMNPYTPJG-UHFFFAOYSA-M
XLogP1.15
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[carbamoyl(sulfinato)carbamoyl]naphthalene?
The IUPAC name of 1-[carbamoyl(sulfinato)carbamoyl]naphthalene (CID 174669663) is 1-[carbamoyl(sulfinato)carbamoyl]naphthalene.
What is the SMILES notation for 1-[carbamoyl(sulfinato)carbamoyl]naphthalene?
The canonical SMILES for 1-[carbamoyl(sulfinato)carbamoyl]naphthalene is NC(=O)N(C(=O)c1cccc2ccccc12)S(=O)[O-].
What is the InChIKey of 1-[carbamoyl(sulfinato)carbamoyl]naphthalene?
The InChIKey is ATZYPEMNPYTPJG-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10N2O4S/c13-12(16)14(19(17)18)11(15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,13,16)(H,17,18)/p-1.
What are the key properties of 1-[carbamoyl(sulfinato)carbamoyl]naphthalene?
1-[carbamoyl(sulfinato)carbamoyl]naphthalene has a molecular weight of 277.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[carbamoyl(sulfinato)carbamoyl]naphthalene is sourced from PubChem (CID 174669663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).