N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide

C13H11Cl2N3O3S — CID 100657146

IUPACN-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
SMILESNNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H11Cl2N3O3S/c14-11-5-4-9(7-12(11)15)18-22(20,21)10-3-1-2-8(6-10)13(19)17-16/h1-7,18H,16H2,(H,17,19)
InChIKeyYEWYFSARZONTBN-UHFFFAOYSA-N
MW360.22 g/mol
LogP2.40
Rot. Bonds4

About N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide

N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide (PubChem CID 100657146) has the molecular formula C13H11Cl2N3O3S and a molecular weight of 360.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
PubChem CID100657146
Molecular FormulaC13H11Cl2N3O3S
Molecular Weight360.22 g/mol
Exact Mass358.99
IUPAC NameN-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
SMILESNNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H11Cl2N3O3S/c14-11-5-4-9(7-12(11)15)18-22(20,21)10-3-1-2-8(6-10)13(19)17-16/h1-7,18H,16H2,(H,17,19)
InChIKeyYEWYFSARZONTBN-UHFFFAOYSA-N
XLogP2.40
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,4-dichlorophenyl)sulfonylamino]-N-methoxybenzamide
CID 33102554
3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide
CID 43604435
N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide
CID 24659997
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 27648381
3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062198
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide
CID 17495670
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657069
N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide
CID 109065192
3-chloro-N-[4-[(3,4-dichlorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892799
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide
CID 2341223

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide (CID 100657146) is N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide is NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
The InChIKey is YEWYFSARZONTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3S/c14-11-5-4-9(7-12(11)15)18-22(20,21)10-3-1-2-8(6-10)13(19)17-16/h1-7,18H,16H2,(H,17,19).
What are the key properties of N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide has a molecular weight of 360.22 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide is sourced from PubChem (CID 100657146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).