4-amino-N-(oxomethylidene)benzenesulfonamide

C7H6N2O3S — CID 154122066

IUPAC4-amino-N-(oxomethylidene)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N=C=O)cc1
InChIInChI=1S/C7H6N2O3S/c8-6-1-3-7(4-2-6)13(11,12)9-5-10/h1-4H,8H2
InChIKeyBBLDLUHYVCBZGC-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.29
Rot. Bonds2

About 4-amino-N-(oxomethylidene)benzenesulfonamide

4-amino-N-(oxomethylidene)benzenesulfonamide (PubChem CID 154122066) has the molecular formula C7H6N2O3S and a molecular weight of 198.20 g/mol. Its IUPAC name is 4-amino-N-(oxomethylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(oxomethylidene)benzenesulfonamide
PubChem CID154122066
Molecular FormulaC7H6N2O3S
Molecular Weight198.20 g/mol
Exact Mass198.01
IUPAC Name4-amino-N-(oxomethylidene)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N=C=O)cc1
InChIInChI=1S/C7H6N2O3S/c8-6-1-3-7(4-2-6)13(11,12)9-5-10/h1-4H,8H2
InChIKeyBBLDLUHYVCBZGC-UHFFFAOYSA-N
XLogP0.29
TPSA89.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(oxomethylidene)benzenesulfonamide;hydrate
CID 141397205
sodium N'-(4-aminophenyl)sulfonylcarbamimidate
CID 138399650
4-(2-methylpropoxy)-N-(oxomethylidene)benzenesulfonamide
CID 114770545
4-fluoro-3-methyl-N-(oxomethylidene)benzenesulfonamide
CID 82078542
4-(4-aminophenyl)sulfonylaniline;dihydroiodide
CID 24833766
CID 159358457
CID 159358457
bismuth tris(4-aminobenzenesulfonate)
CID 71654472
4-[(4-aminophenyl)sulfonimidoyl]aniline
CID 71513819
2-N-(oxomethylidene)benzene-1,2-disulfonamide
CID 20532150
4-(N,S-dimethylsulfonimidoyl)aniline
CID 59674088
sodium;4-(4-aminophenyl)sulfonylaniline;cyanate
CID 67466349
4-aminobenzenesulfonic acid;copper
CID 174792931

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxomethylidene)benzenesulfonamide?
The IUPAC name of 4-amino-N-(oxomethylidene)benzenesulfonamide (CID 154122066) is 4-amino-N-(oxomethylidene)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(oxomethylidene)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(oxomethylidene)benzenesulfonamide is Nc1ccc(S(=O)(=O)N=C=O)cc1.
What is the InChIKey of 4-amino-N-(oxomethylidene)benzenesulfonamide?
The InChIKey is BBLDLUHYVCBZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3S/c8-6-1-3-7(4-2-6)13(11,12)9-5-10/h1-4H,8H2.
What are the key properties of 4-amino-N-(oxomethylidene)benzenesulfonamide?
4-amino-N-(oxomethylidene)benzenesulfonamide has a molecular weight of 198.20 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxomethylidene)benzenesulfonamide is sourced from PubChem (CID 154122066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).