sodium;formamide;naphthalene-1-sulfonate

C11H10NNaO4S — CID 159698402

IUPACsodium;formamide;naphthalene-1-sulfonate
SMILESNC=O.O=S(=O)([O-])c1cccc2ccccc12.[Na+]
InChIInChI=1S/C10H8O3S.CH3NO.Na/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;2-1-3;/h1-7H,(H,11,12,13);1H,(H2,2,3);/q;;+1/p-1
InChIKeySUPFUQCKVPBIGJ-UHFFFAOYSA-M
MW275.26 g/mol
LogP-2.15
Rot. Bonds1

About sodium;formamide;naphthalene-1-sulfonate

sodium;formamide;naphthalene-1-sulfonate (PubChem CID 159698402) has the molecular formula C11H10NNaO4S and a molecular weight of 275.26 g/mol. Its IUPAC name is sodium;formamide;naphthalene-1-sulfonate.

Molecular Properties

Compound Namesodium;formamide;naphthalene-1-sulfonate
PubChem CID159698402
Molecular FormulaC11H10NNaO4S
Molecular Weight275.26 g/mol
Exact Mass275.02
IUPAC Namesodium;formamide;naphthalene-1-sulfonate
SMILESNC=O.O=S(=O)([O-])c1cccc2ccccc12.[Na+]
InChIInChI=1S/C10H8O3S.CH3NO.Na/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;2-1-3;/h1-7H,(H,11,12,13);1H,(H2,2,3);/q;;+1/p-1
InChIKeySUPFUQCKVPBIGJ-UHFFFAOYSA-M
XLogP-2.15
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-2.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tricalcium;bis(naphthalene-1-sulfonate);dicarbonate
CID 173383364
disodium;anthracene-1,5-disulfonate
CID 87786614
disodium;naphthalene-1,6-disulfonate
CID 45358177
sodium;formaldehyde;naphthalene-1-sulfonate;propan-2-yl naphthalene-1-sulfonate
CID 174934330
sodium;naphthalene-1-sulfonate;1-phenyl-2-prop-2-enylbenzene
CID 174496781
sodium 7-(hydroxymethyl)naphthalene-1-sulfonate
CID 101204788
azane;naphthalene-1-sulfonamide
CID 174765300
sodium 7-methylnaphthalene-1-sulfonate
CID 101315116
naphthalene-1-sulfonic acid
CID 158712346
1-methylsulfonylnaphthalene
CID 11206535
methanamine;naphthalene-1-sulfonic acid
CID 174421353
disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid
CID 174856610

Frequently Asked Questions

What is the IUPAC name of sodium;formamide;naphthalene-1-sulfonate?
The IUPAC name of sodium;formamide;naphthalene-1-sulfonate (CID 159698402) is sodium;formamide;naphthalene-1-sulfonate.
What is the SMILES notation for sodium;formamide;naphthalene-1-sulfonate?
The canonical SMILES for sodium;formamide;naphthalene-1-sulfonate is NC=O.O=S(=O)([O-])c1cccc2ccccc12.[Na+].
What is the InChIKey of sodium;formamide;naphthalene-1-sulfonate?
The InChIKey is SUPFUQCKVPBIGJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O3S.CH3NO.Na/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;2-1-3;/h1-7H,(H,11,12,13);1H,(H2,2,3);/q;;+1/p-1.
What are the key properties of sodium;formamide;naphthalene-1-sulfonate?
sodium;formamide;naphthalene-1-sulfonate has a molecular weight of 275.26 g/mol, XLogP of -2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;formamide;naphthalene-1-sulfonate is sourced from PubChem (CID 159698402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).