3-chlorobenzenesulfonohydrazide

C6H7ClN2O2S — CID 12924057

IUPAC3-chlorobenzenesulfonohydrazide
SMILESNNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C6H7ClN2O2S/c7-5-2-1-3-6(4-5)12(10,11)9-8/h1-4,9H,8H2
InChIKeyVFWZXKBYLRTNIV-UHFFFAOYSA-N
MW206.65 g/mol
LogP0.49
Rot. Bonds2

About 3-chlorobenzenesulfonohydrazide

3-chlorobenzenesulfonohydrazide (PubChem CID 12924057) has the molecular formula C6H7ClN2O2S and a molecular weight of 206.65 g/mol. Its IUPAC name is 3-chlorobenzenesulfonohydrazide.

Molecular Properties

Compound Name3-chlorobenzenesulfonohydrazide
PubChem CID12924057
Molecular FormulaC6H7ClN2O2S
Molecular Weight206.65 g/mol
Exact Mass205.99
IUPAC Name3-chlorobenzenesulfonohydrazide
SMILESNNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C6H7ClN2O2S/c7-5-2-1-3-6(4-5)12(10,11)9-8/h1-4,9H,8H2
InChIKeyVFWZXKBYLRTNIV-UHFFFAOYSA-N
XLogP0.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
(3-chlorophenyl)sulfonylurea
CID 117060605
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
3-iodobenzenesulfonohydrazide
CID 171366770
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
potassium 3-chlorobenzenesulfonamide
CID 19353487
bis(3-chlorobenzenesulfonate);mercury(2+)
CID 22604170
[(3-chlorophenyl)sulfonylamino]thiourea
CID 65214631
3,4-dichlorobenzenesulfonohydrazide
CID 2735965
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046

Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzenesulfonohydrazide?
The IUPAC name of 3-chlorobenzenesulfonohydrazide (CID 12924057) is 3-chlorobenzenesulfonohydrazide.
What is the SMILES notation for 3-chlorobenzenesulfonohydrazide?
The canonical SMILES for 3-chlorobenzenesulfonohydrazide is NNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chlorobenzenesulfonohydrazide?
The InChIKey is VFWZXKBYLRTNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S/c7-5-2-1-3-6(4-5)12(10,11)9-8/h1-4,9H,8H2.
What are the key properties of 3-chlorobenzenesulfonohydrazide?
3-chlorobenzenesulfonohydrazide has a molecular weight of 206.65 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobenzenesulfonohydrazide is sourced from PubChem (CID 12924057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).