N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide

C14H12Cl2N2O3S — CID 8616766

IUPACN'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2N2O3S/c1-9-2-4-10(5-3-9)14(19)17-18-22(20,21)13-7-11(15)6-12(16)8-13/h2-8,18H,1H3,(H,17,19)
InChIKeyBKYUDFIZVCLBQO-UHFFFAOYSA-N
MW359.23 g/mol
LogP2.93
Rot. Bonds4

About N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide

N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide (PubChem CID 8616766) has the molecular formula C14H12Cl2N2O3S and a molecular weight of 359.23 g/mol. Its IUPAC name is N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
PubChem CID8616766
Molecular FormulaC14H12Cl2N2O3S
Molecular Weight359.23 g/mol
Exact Mass357.99
IUPAC NameN'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2N2O3S/c1-9-2-4-10(5-3-9)14(19)17-18-22(20,21)13-7-11(15)6-12(16)8-13/h2-8,18H,1H3,(H,17,19)
InChIKeyBKYUDFIZVCLBQO-UHFFFAOYSA-N
XLogP2.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 52.93
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'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
N'-(3,4-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616698
N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617286
4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 923515
4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 170607681
N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide
CID 8500457
N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide
CID 732337
methyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate
CID 8501036
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide
CID 8616927
N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide
CID 32673196
3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 9366029

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide?
The IUPAC name of N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide (CID 8616766) is N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide.
What is the SMILES notation for N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide?
The canonical SMILES for N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide is Cc1ccc(C(=O)NNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide?
The InChIKey is BKYUDFIZVCLBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3S/c1-9-2-4-10(5-3-9)14(19)17-18-22(20,21)13-7-11(15)6-12(16)8-13/h2-8,18H,1H3,(H,17,19).
What are the key properties of N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide?
N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide has a molecular weight of 359.23 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide is sourced from PubChem (CID 8616766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).