1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine

C8H12N4O4S — CID 4610108

IUPAC1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine
SMILESCc1ccc(S(=O)(=O)N=C(N)NN(O)O)cc1
InChIInChI=1S/C8H12N4O4S/c1-6-2-4-7(5-3-6)17(15,16)11-8(9)10-12(13)14/h2-5,13-14H,1H3,(H3,9,10,11)
InChIKeyNNQZUKCMIYJLJN-UHFFFAOYSA-N
MW260.27 g/mol
LogP-0.42
Rot. Bonds3

About 1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine

1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine (PubChem CID 4610108) has the molecular formula C8H12N4O4S and a molecular weight of 260.27 g/mol. Its IUPAC name is 1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine.

Molecular Properties

Compound Name1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine
PubChem CID4610108
Molecular FormulaC8H12N4O4S
Molecular Weight260.27 g/mol
Exact Mass260.06
IUPAC Name1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine
SMILESCc1ccc(S(=O)(=O)N=C(N)NN(O)O)cc1
InChIInChI=1S/C8H12N4O4S/c1-6-2-4-7(5-3-6)17(15,16)11-8(9)10-12(13)14/h2-5,13-14H,1H3,(H3,9,10,11)
InChIKeyNNQZUKCMIYJLJN-UHFFFAOYSA-N
XLogP-0.42
TPSA128.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine
CID 71618017
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
CID 5368528
2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide
CID 73166022
(3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide
CID 177455956
1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine
CID 67176300
3-hydroxy-3-methyl-N'-(4-methylphenyl)sulfonylbutanimidamide
CID 158662021
1-(4-methoxy-6-methylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine
CID 15890365
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898
5-[(Z)-N'-(4-methylphenyl)sulfonylcarbamimidoyl]-2-sulfanylidene-1,3-dihydroimidazole-4-carbothioamide
CID 135475646
4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2340419
[(Z)-N'-(4-methylphenyl)sulfonylcarbamimidoyl] methanimidothioate
CID 143880078
N-(3,5-dimethylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide
CID 154719199

Frequently Asked Questions

What is the IUPAC name of 1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine?
The IUPAC name of 1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine (CID 4610108) is 1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine.
What is the SMILES notation for 1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine?
The canonical SMILES for 1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine is Cc1ccc(S(=O)(=O)N=C(N)NN(O)O)cc1.
What is the InChIKey of 1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine?
The InChIKey is NNQZUKCMIYJLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4S/c1-6-2-4-7(5-3-6)17(15,16)11-8(9)10-12(13)14/h2-5,13-14H,1H3,(H3,9,10,11).
What are the key properties of 1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine?
1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine has a molecular weight of 260.27 g/mol, XLogP of -0.42, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine is sourced from PubChem (CID 4610108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).