2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine

C13H14N4O4S2 — CID 2842661

IUPAC2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C13H14N4O4S2/c14-13(15)17-23(20,21)12-8-6-10(7-9-12)16-22(18,19)11-4-2-1-3-5-11/h1-9,16H,(H4,14,15,17)
InChIKeyDVOOVQJGFPBVPU-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.45
Rot. Bonds5

About 2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine

2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine (PubChem CID 2842661) has the molecular formula C13H14N4O4S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine
PubChem CID2842661
Molecular FormulaC13H14N4O4S2
Molecular Weight354.41 g/mol
Exact Mass354.05
IUPAC Name2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C13H14N4O4S2/c14-13(15)17-23(20,21)12-8-6-10(7-9-12)16-22(18,19)11-4-2-1-3-5-11/h1-9,16H,(H4,14,15,17)
InChIKeyDVOOVQJGFPBVPU-UHFFFAOYSA-N
XLogP0.45
TPSA144.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
[4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium
CID 7048923
5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide
CID 130406207
N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide
CID 89392412
(2S)-2-[4-(benzenesulfonamido)phenyl]propanamide
CID 23653372
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972
3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride
CID 3018876
N'-(benzenesulfonyl)ethanimidamide
CID 3716690
2-fluoroethanamine;N-phenylbenzenesulfonamide
CID 175323476
4-(phenylsulfamoyl)benzoate
CID 6997297

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine?
The IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine (CID 2842661) is 2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine.
What is the SMILES notation for 2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine?
The canonical SMILES for 2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine is NC(N)=NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine?
The InChIKey is DVOOVQJGFPBVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4S2/c14-13(15)17-23(20,21)12-8-6-10(7-9-12)16-22(18,19)11-4-2-1-3-5-11/h1-9,16H,(H4,14,15,17).
What are the key properties of 2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine?
2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine has a molecular weight of 354.41 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine is sourced from PubChem (CID 2842661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).