1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine

C14H16N4O2S — CID 116512239

IUPAC1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine
SMILESCS(=O)(=O)c1ccc(/N=C(\NN)Nc2ccccc2)cc1
InChIInChI=1S/C14H16N4O2S/c1-21(19,20)13-9-7-12(8-10-13)17-14(18-15)16-11-5-3-2-4-6-11/h2-10H,15H2,1H3,(H2,16,17,18)
InChIKeyKDNKNGCFBSRXNT-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.65
Rot. Bonds3

About 1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine

1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine (PubChem CID 116512239) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine.

Molecular Properties

Compound Name1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine
PubChem CID116512239
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine
SMILESCS(=O)(=O)c1ccc(/N=C(\NN)Nc2ccccc2)cc1
InChIInChI=1S/C14H16N4O2S/c1-21(19,20)13-9-7-12(8-10-13)17-14(18-15)16-11-5-3-2-4-6-11/h2-10H,15H2,1H3,(H2,16,17,18)
InChIKeyKDNKNGCFBSRXNT-UHFFFAOYSA-N
XLogP1.65
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

1-amino-2-(2-methylpropyl)-3-(4-methylsulfonylphenyl)guanidine
CID 116512240
1-amino-3-(3-ethylphenyl)-2-phenylguanidine
CID 116512544
1-amino-2-(2-chloro-6-methylphenyl)-3-phenylguanidine
CID 116515718
1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine
CID 116515439
2-benzyl-1-(4-methylsulfonylphenyl)guanidine
CID 130567654
4-[[amino-[[amino(anilino)methylidene]amino]methylidene]amino]benzenesulfonic acid
CID 154313965
4-methylsulfonyl-N-(4-phenylphenyl)benzamide
CID 7998967
1-(4-methylsulfonylanilino)-3-phenylthiourea
CID 71897108
1,3-diamino-2-phenylguanidine;hydroiodide
CID 12727461
(2R)-2-amino-N-(4-methylsulfonylphenyl)-2-phenylacetamide
CID 61148899
1-amino-2-(1-methylpyrazol-3-yl)-3-phenylguanidine
CID 116515830
N-(4-methylsulfonylphenyl)-2-phenylbenzamide
CID 47005035

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine?
The IUPAC name of 1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine (CID 116512239) is 1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine.
What is the SMILES notation for 1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine?
The canonical SMILES for 1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine is CS(=O)(=O)c1ccc(/N=C(\NN)Nc2ccccc2)cc1.
What is the InChIKey of 1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine?
The InChIKey is KDNKNGCFBSRXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-21(19,20)13-9-7-12(8-10-13)17-14(18-15)16-11-5-3-2-4-6-11/h2-10H,15H2,1H3,(H2,16,17,18).
What are the key properties of 1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine?
1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine has a molecular weight of 304.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine is sourced from PubChem (CID 116512239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).