3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide

C7H8ClN3O4S — CID 43104461

IUPAC3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide
SMILESCc1c(Cl)cc(S(=O)(=O)NN)cc1[N+](=O)[O-]
InChIInChI=1S/C7H8ClN3O4S/c1-4-6(8)2-5(16(14,15)10-9)3-7(4)11(12)13/h2-3,10H,9H2,1H3
InChIKeyOYOIXWCQNZMJOJ-UHFFFAOYSA-N
MW265.68 g/mol
LogP0.71
Rot. Bonds3

About 3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide

3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide (PubChem CID 43104461) has the molecular formula C7H8ClN3O4S and a molecular weight of 265.68 g/mol. Its IUPAC name is 3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide.

Molecular Properties

Compound Name3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide
PubChem CID43104461
Molecular FormulaC7H8ClN3O4S
Molecular Weight265.68 g/mol
Exact Mass264.99
IUPAC Name3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide
SMILESCc1c(Cl)cc(S(=O)(=O)NN)cc1[N+](=O)[O-]
InChIInChI=1S/C7H8ClN3O4S/c1-4-6(8)2-5(16(14,15)10-9)3-7(4)11(12)13/h2-3,10H,9H2,1H3
InChIKeyOYOIXWCQNZMJOJ-UHFFFAOYSA-N
XLogP0.71
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-methyl-5-nitro-N-[4-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 27993527
N-(3-amino-2,2-difluoropropyl)-3-chloro-4-methyl-5-nitrobenzenesulfonamide
CID 114384018
3-chloro-N,N,4-trimethyl-5-nitrobenzenesulfonamide
CID 8777803
3-chloro-N-(2-cyanoethyl)-4-methyl-5-nitrobenzenesulfonamide
CID 8800325
2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]oxyacetic acid
CID 60661220
N-(2-bromoprop-2-enyl)-3-chloro-4-methyl-5-nitrobenzenesulfonamide
CID 113465024
3-chloro-N-(2-methoxyethoxy)-4-methyl-5-nitrobenzenesulfonamide
CID 82715055
N-benzyl-3-chloro-4-methyl-5-nitrobenzenesulfonamide
CID 8777725
3-chloro-N-(4-hydroxybutan-2-yl)-4-methyl-5-nitrobenzenesulfonamide
CID 115477839
3-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]propyl-dimethylazanium
CID 8777808
3-chloro-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-5-nitrobenzenesulfonamide
CID 8777981
3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide
CID 8515892

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide?
The IUPAC name of 3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide (CID 43104461) is 3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide.
What is the SMILES notation for 3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide?
The canonical SMILES for 3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide is Cc1c(Cl)cc(S(=O)(=O)NN)cc1[N+](=O)[O-].
What is the InChIKey of 3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide?
The InChIKey is OYOIXWCQNZMJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O4S/c1-4-6(8)2-5(16(14,15)10-9)3-7(4)11(12)13/h2-3,10H,9H2,1H3.
What are the key properties of 3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide?
3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide has a molecular weight of 265.68 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide is sourced from PubChem (CID 43104461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).