(4-cyanophenyl)sulfamic acid

C7H6N2O3S — CID 15847253

IUPAC(4-cyanophenyl)sulfamic acid
SMILESN#Cc1ccc(NS(=O)(=O)O)cc1
InChIInChI=1S/C7H6N2O3S/c8-5-6-1-3-7(4-2-6)9-13(10,11)12/h1-4,9H,(H,10,11,12)
InChIKeyDRPAPEPUWLQLOU-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.77
Rot. Bonds2

About (4-cyanophenyl)sulfamic acid

(4-cyanophenyl)sulfamic acid (PubChem CID 15847253) has the molecular formula C7H6N2O3S and a molecular weight of 198.20 g/mol. Its IUPAC name is (4-cyanophenyl)sulfamic acid.

Molecular Properties

Compound Name(4-cyanophenyl)sulfamic acid
PubChem CID15847253
Molecular FormulaC7H6N2O3S
Molecular Weight198.20 g/mol
Exact Mass198.01
IUPAC Name(4-cyanophenyl)sulfamic acid
SMILESN#Cc1ccc(NS(=O)(=O)O)cc1
InChIInChI=1S/C7H6N2O3S/c8-5-6-1-3-7(4-2-6)9-13(10,11)12/h1-4,9H,(H,10,11,12)
InChIKeyDRPAPEPUWLQLOU-UHFFFAOYSA-N
XLogP0.77
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-cyanophenyl)phenyl]sulfamic acid
CID 101234678
2-[(4-cyanophenyl)sulfamoylamino]acetic acid
CID 14363956
N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide
CID 138582531
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
N-(4-cyanophenyl)piperidine-1-sulfonamide
CID 28785044
N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103727884
N-(4-cyanophenyl)piperazine-1-sulfonamide
CID 28775902
[4-(hydroxymethyl)phenyl]sulfamic acid
CID 141443136
azane;benzene-1,4-dicarbonitrile
CID 174336566
N-(4-cyanophenyl)morpholine-4-sulfonamide
CID 28785040
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)sulfamic acid?
The IUPAC name of (4-cyanophenyl)sulfamic acid (CID 15847253) is (4-cyanophenyl)sulfamic acid.
What is the SMILES notation for (4-cyanophenyl)sulfamic acid?
The canonical SMILES for (4-cyanophenyl)sulfamic acid is N#Cc1ccc(NS(=O)(=O)O)cc1.
What is the InChIKey of (4-cyanophenyl)sulfamic acid?
The InChIKey is DRPAPEPUWLQLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3S/c8-5-6-1-3-7(4-2-6)9-13(10,11)12/h1-4,9H,(H,10,11,12).
What are the key properties of (4-cyanophenyl)sulfamic acid?
(4-cyanophenyl)sulfamic acid has a molecular weight of 198.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)sulfamic acid is sourced from PubChem (CID 15847253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).