N-diazo-4-methylsulfonylbenzenesulfonamide

C7H7N3O4S2 — CID 43286601

IUPACN-diazo-4-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N=[N+]=[N-])cc1
InChIInChI=1S/C7H7N3O4S2/c1-15(11,12)6-2-4-7(5-3-6)16(13,14)10-9-8/h2-5H,1H3
InChIKeyXUOWSRJVJVHTAT-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.09
Rot. Bonds3

About N-diazo-4-methylsulfonylbenzenesulfonamide

N-diazo-4-methylsulfonylbenzenesulfonamide (PubChem CID 43286601) has the molecular formula C7H7N3O4S2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-diazo-4-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-diazo-4-methylsulfonylbenzenesulfonamide
PubChem CID43286601
Molecular FormulaC7H7N3O4S2
Molecular Weight261.28 g/mol
Exact Mass260.99
IUPAC NameN-diazo-4-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N=[N+]=[N-])cc1
InChIInChI=1S/C7H7N3O4S2/c1-15(11,12)6-2-4-7(5-3-6)16(13,14)10-9-8/h2-5H,1H3
InChIKeyXUOWSRJVJVHTAT-UHFFFAOYSA-N
XLogP1.09
TPSA117.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-diazobenzenesulfonamide;N-diazoethanesulfonamide;bis(N-diazomethanesulfonamide);1-methyl-4-methylsulfonylbenzene
CID 157429719
N-(4-azidosulfonylphenyl)acetamide
CID 5129185
N-diazo-4-(4-ethylphenoxy)benzenesulfonamide
CID 91323840
(2,3,4,5,6-pentafluorophenyl) 4-azidosulfonylbenzoate
CID 77078459
N-(4-azidosulfonylphenyl)-2-oxoacetamide
CID 122550572
N-diazo-3-methoxybenzenesulfonamide
CID 81259171
N-diazo-4-fluoro-3-nitrosobenzenesulfonamide
CID 88935009
bis(4-methylsulfonylphenyl)diazene
CID 14045605
2,6-dibromo-N-diazobenzenesulfonamide
CID 53381084
N-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide
CID 89455528
N-diazo-2,3-dioxo-1H-indole-5-sulfonamide
CID 122707169
5-azidosulfonyl-2-methoxybenzamide
CID 43286593

Frequently Asked Questions

What is the IUPAC name of N-diazo-4-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-diazo-4-methylsulfonylbenzenesulfonamide (CID 43286601) is N-diazo-4-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-diazo-4-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-diazo-4-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1ccc(S(=O)(=O)N=[N+]=[N-])cc1.
What is the InChIKey of N-diazo-4-methylsulfonylbenzenesulfonamide?
The InChIKey is XUOWSRJVJVHTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O4S2/c1-15(11,12)6-2-4-7(5-3-6)16(13,14)10-9-8/h2-5H,1H3.
What are the key properties of N-diazo-4-methylsulfonylbenzenesulfonamide?
N-diazo-4-methylsulfonylbenzenesulfonamide has a molecular weight of 261.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-4-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 43286601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).