1-amino-3-(4-chlorophenyl)-1-methyl-2-(2-methylphenyl)sulfonylguanidine

C15H17ClN4O2S — CID 139645081

IUPAC1-amino-3-(4-chlorophenyl)-1-methyl-2-(2-methylphenyl)sulfonylguanidine
SMILESCc1ccccc1S(=O)(=O)N=C(Nc1ccc(Cl)cc1)N(C)N
InChIInChI=1S/C15H17ClN4O2S/c1-11-5-3-4-6-14(11)23(21,22)19-15(20(2)17)18-13-9-7-12(16)8-10-13/h3-10H,17H2,1-2H3,(H,18,19)
InChIKeyROCHNFSZLOTGOT-UHFFFAOYSA-N
MW352.85 g/mol
LogP2.61
Rot. Bonds3

About 1-amino-3-(4-chlorophenyl)-1-methyl-2-(2-methylphenyl)sulfonylguanidine

1-amino-3-(4-chlorophenyl)-1-methyl-2-(2-methylphenyl)sulfonylguanidine (PubChem CID 139645081) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is 1-amino-3-(4-chlorophenyl)-1-methyl-2-(2-methylphenyl)sulfonylguanidine.

Molecular Properties

Compound Name1-amino-3-(4-chlorophenyl)-1-methyl-2-(2-methylphenyl)sulfonylguanidine
PubChem CID139645081
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC Name1-amino-3-(4-chlorophenyl)-1-methyl-2-(2-methylphenyl)sulfonylguanidine
SMILESCc1ccccc1S(=O)(=O)N=C(Nc1ccc(Cl)cc1)N(C)N
InChIInChI=1S/C15H17ClN4O2S/c1-11-5-3-4-6-14(11)23(21,22)19-15(20(2)17)18-13-9-7-12(16)8-10-13/h3-10H,17H2,1-2H3,(H,18,19)
InChIKeyROCHNFSZLOTGOT-UHFFFAOYSA-N
XLogP2.61
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(4-chlorophenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112997960
N-(4-chlorophenyl)-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 9100739
5-(4-chlorophenyl)-N,N-dimethyl-N'-(2-methylphenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
CID 73019511
N'-(2-methylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]benzenecarboximidamide
CID 2950272
methyl N'-(benzenesulfonyl)-N-(4-chlorophenyl)carbamimidothioate
CID 10712227
1-(2-bromoethyl)-1-ethyl-2-(2-methylphenyl)sulfonylguanidine
CID 67823463
4-chloro-N-(2-methylphenyl)sulfonylbenzamide
CID 139079289
N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112998153
2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 46418498
(2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125060901
N'-(4-chlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 2950669

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-chlorophenyl)-1-methyl-2-(2-methylphenyl)sulfonylguanidine?
The IUPAC name of 1-amino-3-(4-chlorophenyl)-1-methyl-2-(2-methylphenyl)sulfonylguanidine (CID 139645081) is 1-amino-3-(4-chlorophenyl)-1-methyl-2-(2-methylphenyl)sulfonylguanidine.
What is the SMILES notation for 1-amino-3-(4-chlorophenyl)-1-methyl-2-(2-methylphenyl)sulfonylguanidine?
The canonical SMILES for 1-amino-3-(4-chlorophenyl)-1-methyl-2-(2-methylphenyl)sulfonylguanidine is Cc1ccccc1S(=O)(=O)N=C(Nc1ccc(Cl)cc1)N(C)N.
What is the InChIKey of 1-amino-3-(4-chlorophenyl)-1-methyl-2-(2-methylphenyl)sulfonylguanidine?
The InChIKey is ROCHNFSZLOTGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-11-5-3-4-6-14(11)23(21,22)19-15(20(2)17)18-13-9-7-12(16)8-10-13/h3-10H,17H2,1-2H3,(H,18,19).
What are the key properties of 1-amino-3-(4-chlorophenyl)-1-methyl-2-(2-methylphenyl)sulfonylguanidine?
1-amino-3-(4-chlorophenyl)-1-methyl-2-(2-methylphenyl)sulfonylguanidine has a molecular weight of 352.85 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-chlorophenyl)-1-methyl-2-(2-methylphenyl)sulfonylguanidine is sourced from PubChem (CID 139645081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).