N-diazo-4-methylbenzenesulfonamide

C7H7N3O2S — CID 13661

IUPACN-diazo-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=[N+]=[N-])cc1
InChIInChI=1S/C7H7N3O2S/c1-6-2-4-7(5-3-6)13(11,12)10-9-8/h2-5H,1H3
InChIKeyNDLIRBZKZSDGSO-UHFFFAOYSA-N
MW197.22 g/mol
LogP1.99
Rot. Bonds2

About N-diazo-4-methylbenzenesulfonamide

N-diazo-4-methylbenzenesulfonamide (PubChem CID 13661) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is N-diazo-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-diazo-4-methylbenzenesulfonamide
PubChem CID13661
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC NameN-diazo-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=[N+]=[N-])cc1
InChIInChI=1S/C7H7N3O2S/c1-6-2-4-7(5-3-6)13(11,12)10-9-8/h2-5H,1H3
InChIKeyNDLIRBZKZSDGSO-UHFFFAOYSA-N
XLogP1.99
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-diazo-4-methylsulfonylbenzenesulfonamide
CID 43286601
N-diazobenzenesulfonamide;N-diazoethanesulfonamide;bis(N-diazomethanesulfonamide);1-methyl-4-methylsulfonylbenzene
CID 157429719
N-(4-azidosulfonylphenyl)acetamide
CID 5129185
sodium 4-azidosulfonylbenzoate
CID 24767650
N-diazo-4-(4-ethylphenoxy)benzenesulfonamide
CID 91323840
CID 87782180
CID 87782180
N-diazo-4-methyl-2-sulfanylbenzenesulfonamide
CID 22764447
4-cyclohexyl-N-diazobenzenesulfonamide
CID 43286634
azidoethane;4-methylbenzenesulfonic acid
CID 175041595
1-(3-azidopropylsulfonyl)-4-methylbenzene
CID 61397135
sodium;4-methylbenzenesulfonic acid;azide
CID 172780607
(2,3,4,5,6-pentafluorophenyl) 4-azidosulfonylbenzoate
CID 77078459

Frequently Asked Questions

What is the IUPAC name of N-diazo-4-methylbenzenesulfonamide?
The IUPAC name of N-diazo-4-methylbenzenesulfonamide (CID 13661) is N-diazo-4-methylbenzenesulfonamide.
What is the SMILES notation for N-diazo-4-methylbenzenesulfonamide?
The canonical SMILES for N-diazo-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=[N+]=[N-])cc1.
What is the InChIKey of N-diazo-4-methylbenzenesulfonamide?
The InChIKey is NDLIRBZKZSDGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c1-6-2-4-7(5-3-6)13(11,12)10-9-8/h2-5H,1H3.
What are the key properties of N-diazo-4-methylbenzenesulfonamide?
N-diazo-4-methylbenzenesulfonamide has a molecular weight of 197.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-4-methylbenzenesulfonamide is sourced from PubChem (CID 13661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).