[4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium

C13H15N4O4S2+ — CID 7048923

IUPAC[4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium
SMILESNC(N)=[NH+]S(=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)/p+1
InChIKeyDVOOVQJGFPBVPU-UHFFFAOYSA-O
MW355.42 g/mol
LogP-1.47
Rot. Bonds5

About [4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium

[4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium (PubChem CID 7048923) has the molecular formula C13H15N4O4S2+ and a molecular weight of 355.42 g/mol. Its IUPAC name is [4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium.

Molecular Properties

Compound Name[4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium
PubChem CID7048923
Molecular FormulaC13H15N4O4S2+
Molecular Weight355.42 g/mol
Exact Mass355.05
IUPAC Name[4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium
SMILESNC(N)=[NH+]S(=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)/p+1
InChIKeyDVOOVQJGFPBVPU-UHFFFAOYSA-O
XLogP-1.47
TPSA146.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine
CID 2842661
2-[[4-(diaminomethylideneazaniumylsulfonyl)phenyl]carbamoyl]benzoate
CID 5084186
5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide
CID 130406207
4-(phenylsulfamoyl)benzoate
CID 6997297
(2S)-2-[4-(benzenesulfonamido)phenyl]propanamide
CID 23653372
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide
CID 89392412
2-fluoroethanamine;N-phenylbenzenesulfonamide
CID 175323476
diaminomethylidene-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylazanium
CID 5079682

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium?
The IUPAC name of [4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium (CID 7048923) is [4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium.
What is the SMILES notation for [4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium?
The canonical SMILES for [4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium is NC(N)=[NH+]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium?
The InChIKey is DVOOVQJGFPBVPU-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of [4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium?
[4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium has a molecular weight of 355.42 g/mol, XLogP of -1.47, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium is sourced from PubChem (CID 7048923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).