(4-ethenylanilino)sulfamic acid

C8H10N2O3S — CID 141014770

IUPAC(4-ethenylanilino)sulfamic acid
SMILESC=Cc1ccc(NNS(=O)(=O)O)cc1
InChIInChI=1S/C8H10N2O3S/c1-2-7-3-5-8(6-4-7)9-10-14(11,12)13/h2-6,9-10H,1H2,(H,11,12,13)
InChIKeyBVYKCIWAXSDARU-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.05
Rot. Bonds4

About (4-ethenylanilino)sulfamic acid

(4-ethenylanilino)sulfamic acid (PubChem CID 141014770) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is (4-ethenylanilino)sulfamic acid.

Molecular Properties

Compound Name(4-ethenylanilino)sulfamic acid
PubChem CID141014770
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name(4-ethenylanilino)sulfamic acid
SMILESC=Cc1ccc(NNS(=O)(=O)O)cc1
InChIInChI=1S/C8H10N2O3S/c1-2-7-3-5-8(6-4-7)9-10-14(11,12)13/h2-6,9-10H,1H2,(H,11,12,13)
InChIKeyBVYKCIWAXSDARU-UHFFFAOYSA-N
XLogP1.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

anilinosulfamic acid;4-methylbenzaldehyde
CID 88688555
(4-ethenylphenyl)carbamic acid
CID 22352089
4-ethenylbenzenesulfonic acid;methanol
CID 172742090
4-ethenyl-N-hydroxybenzenesulfonamide
CID 139935859
1-ethenyl-4-[(fluoro-hydroxy-oxo-λ6-sulfanylidene)amino]sulfonylbenzene
CID 20705403
N,4-bis(ethenyl)aniline
CID 21060901
1,4-bis(ethenyl)benzene;urea
CID 18766675
4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid
CID 88633665
ethane;N-(4-ethenylphenyl)formamide
CID 143911440
[4-[3-(methyliminomethylimino)propyl]anilino]sulfamic acid
CID 71089135
1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea
CID 11704173
3-methoxybenzaldehyde;4-(2-sulfohydrazinyl)benzenesulfonic acid
CID 88689314

Frequently Asked Questions

What is the IUPAC name of (4-ethenylanilino)sulfamic acid?
The IUPAC name of (4-ethenylanilino)sulfamic acid (CID 141014770) is (4-ethenylanilino)sulfamic acid.
What is the SMILES notation for (4-ethenylanilino)sulfamic acid?
The canonical SMILES for (4-ethenylanilino)sulfamic acid is C=Cc1ccc(NNS(=O)(=O)O)cc1.
What is the InChIKey of (4-ethenylanilino)sulfamic acid?
The InChIKey is BVYKCIWAXSDARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-2-7-3-5-8(6-4-7)9-10-14(11,12)13/h2-6,9-10H,1H2,(H,11,12,13).
What are the key properties of (4-ethenylanilino)sulfamic acid?
(4-ethenylanilino)sulfamic acid has a molecular weight of 214.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylanilino)sulfamic acid is sourced from PubChem (CID 141014770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).