sodium;chloro(phenyl)sulfamic acid;hydride

C6H7ClNNaO3S — CID 173461360

IUPACsodium;chloro(phenyl)sulfamic acid;hydride
SMILESO=S(=O)(O)N(Cl)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C6H6ClNO3S.Na.H/c7-8(12(9,10)11)6-4-2-1-3-5-6;;/h1-5H,(H,9,10,11);;/q;+1;-1
InChIKeyZKUAHLSKCHYOFC-UHFFFAOYSA-N
MW231.64 g/mol
LogP-1.43
Rot. Bonds2

About sodium;chloro(phenyl)sulfamic acid;hydride

sodium;chloro(phenyl)sulfamic acid;hydride (PubChem CID 173461360) has the molecular formula C6H7ClNNaO3S and a molecular weight of 231.64 g/mol. Its IUPAC name is sodium;chloro(phenyl)sulfamic acid;hydride.

Molecular Properties

Compound Namesodium;chloro(phenyl)sulfamic acid;hydride
PubChem CID173461360
Molecular FormulaC6H7ClNNaO3S
Molecular Weight231.64 g/mol
Exact Mass230.97
IUPAC Namesodium;chloro(phenyl)sulfamic acid;hydride
SMILESO=S(=O)(O)N(Cl)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C6H6ClNO3S.Na.H/c7-8(12(9,10)11)6-4-2-1-3-5-6;;/h1-5H,(H,9,10,11);;/q;+1;-1
InChIKeyZKUAHLSKCHYOFC-UHFFFAOYSA-N
XLogP-1.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;chloro(phenyl)sulfamic acid;hydride?
The IUPAC name of sodium;chloro(phenyl)sulfamic acid;hydride (CID 173461360) is sodium;chloro(phenyl)sulfamic acid;hydride.
What is the SMILES notation for sodium;chloro(phenyl)sulfamic acid;hydride?
The canonical SMILES for sodium;chloro(phenyl)sulfamic acid;hydride is O=S(=O)(O)N(Cl)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;chloro(phenyl)sulfamic acid;hydride?
The InChIKey is ZKUAHLSKCHYOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO3S.Na.H/c7-8(12(9,10)11)6-4-2-1-3-5-6;;/h1-5H,(H,9,10,11);;/q;+1;-1.
What are the key properties of sodium;chloro(phenyl)sulfamic acid;hydride?
sodium;chloro(phenyl)sulfamic acid;hydride has a molecular weight of 231.64 g/mol, XLogP of -1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chloro(phenyl)sulfamic acid;hydride is sourced from PubChem (CID 173461360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).