N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide

C14H13ClN2O3S — CID 932051

IUPACN'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-10-2-4-11(5-3-10)14(18)16-17-21(19,20)13-8-6-12(15)7-9-13/h2-9,17H,1H3,(H,16,18)
InChIKeyRCIBNNKHZRRPNJ-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.27
Rot. Bonds4

About N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide

N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide (PubChem CID 932051) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
PubChem CID932051
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC NameN'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-10-2-4-11(5-3-10)14(18)16-17-21(19,20)13-8-6-12(15)7-9-13/h2-9,17H,1H3,(H,16,18)
InChIKeyRCIBNNKHZRRPNJ-UHFFFAOYSA-N
XLogP2.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616766
4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 923515
N'-(3,4-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616698
N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide
CID 732337
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954
N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide
CID 8500457
4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 170607681
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
2-(4-chlorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 146673637
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide (CID 932051) is N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide is Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide?
The InChIKey is RCIBNNKHZRRPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-10-2-4-11(5-3-10)14(18)16-17-21(19,20)13-8-6-12(15)7-9-13/h2-9,17H,1H3,(H,16,18).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide?
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide has a molecular weight of 324.79 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide is sourced from PubChem (CID 932051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).