N-diazo-4-methyl-2-sulfanylbenzenesulfonamide

C7H7N3O2S2 — CID 22764447

IUPACN-diazo-4-methyl-2-sulfanylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=[N+]=[N-])c(S)c1
InChIInChI=1S/C7H7N3O2S2/c1-5-2-3-7(6(13)4-5)14(11,12)10-9-8/h2-4,13H,1H3
InChIKeyMBFGBLLDUNHIQM-UHFFFAOYSA-N
MW229.29 g/mol
LogP2.28
Rot. Bonds2

About N-diazo-4-methyl-2-sulfanylbenzenesulfonamide

N-diazo-4-methyl-2-sulfanylbenzenesulfonamide (PubChem CID 22764447) has the molecular formula C7H7N3O2S2 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-diazo-4-methyl-2-sulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-diazo-4-methyl-2-sulfanylbenzenesulfonamide
PubChem CID22764447
Molecular FormulaC7H7N3O2S2
Molecular Weight229.29 g/mol
Exact Mass229.00
IUPAC NameN-diazo-4-methyl-2-sulfanylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=[N+]=[N-])c(S)c1
InChIInChI=1S/C7H7N3O2S2/c1-5-2-3-7(6(13)4-5)14(11,12)10-9-8/h2-4,13H,1H3
InChIKeyMBFGBLLDUNHIQM-UHFFFAOYSA-N
XLogP2.28
TPSA82.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-sulfanylbenzenesulfonyl chloride
CID 21419207
N-diazo-4-methylbenzenesulfonamide
CID 13661
2-azido-4-methylbenzenesulfonic acid
CID 21159589
2-N-diazo-1-N-methylbenzene-1,2-disulfonamide
CID 21284140
2-azido-N-diazobenzenesulfonamide
CID 57280224
2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide
CID 19882754
N-(2-azidosulfonylphenyl)acetamide
CID 87142558
methyl 4-azidosulfonyl-5-bromothiophene-2-carboxylate
CID 43286617
2-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-4-methylbenzenesulfonic acid
CID 163510455
3-[2,3-bis(azidosulfonyl)phenoxy]-1-N,2-N-didiazobenzene-1,2-disulfonamide
CID 88520484
N-diazo-6-methylpyridine-2-sulfonamide
CID 119097894
4-methyl-2-(methylamino)benzenesulfonamide
CID 20558501

Frequently Asked Questions

What is the IUPAC name of N-diazo-4-methyl-2-sulfanylbenzenesulfonamide?
The IUPAC name of N-diazo-4-methyl-2-sulfanylbenzenesulfonamide (CID 22764447) is N-diazo-4-methyl-2-sulfanylbenzenesulfonamide.
What is the SMILES notation for N-diazo-4-methyl-2-sulfanylbenzenesulfonamide?
The canonical SMILES for N-diazo-4-methyl-2-sulfanylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=[N+]=[N-])c(S)c1.
What is the InChIKey of N-diazo-4-methyl-2-sulfanylbenzenesulfonamide?
The InChIKey is MBFGBLLDUNHIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S2/c1-5-2-3-7(6(13)4-5)14(11,12)10-9-8/h2-4,13H,1H3.
What are the key properties of N-diazo-4-methyl-2-sulfanylbenzenesulfonamide?
N-diazo-4-methyl-2-sulfanylbenzenesulfonamide has a molecular weight of 229.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-4-methyl-2-sulfanylbenzenesulfonamide is sourced from PubChem (CID 22764447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).