4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide

C14H11ClF2N2O3S — CID 170607681

IUPAC4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2c(F)cc(Cl)cc2F)cc1
InChIInChI=1S/C14H11ClF2N2O3S/c1-8-2-4-10(5-3-8)23(21,22)19-18-14(20)13-11(16)6-9(15)7-12(13)17/h2-7,19H,1H3,(H,18,20)
InChIKeyMOBWKXQQDSZLHZ-UHFFFAOYSA-N
MW360.77 g/mol
LogP2.55
Rot. Bonds4

About 4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide

4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide (PubChem CID 170607681) has the molecular formula C14H11ClF2N2O3S and a molecular weight of 360.77 g/mol. Its IUPAC name is 4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide
PubChem CID170607681
Molecular FormulaC14H11ClF2N2O3S
Molecular Weight360.77 g/mol
Exact Mass360.01
IUPAC Name4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2c(F)cc(Cl)cc2F)cc1
InChIInChI=1S/C14H11ClF2N2O3S/c1-8-2-4-10(5-3-8)23(21,22)19-18-14(20)13-11(16)6-9(15)7-12(13)17/h2-7,19H,1H3,(H,18,20)
InChIKeyMOBWKXQQDSZLHZ-UHFFFAOYSA-N
XLogP2.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 52.55
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'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616766
N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide
CID 732337
2-(4-chlorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 146673637
N'-(3,4-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616698
N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504906
N'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide
CID 808082
2-hydroxy-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 766765
4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 923515
N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide
CID 26951444
methyl N-[(4-methylphenyl)sulfonylamino]carbamate
CID 795389
1-N',4-N'-bis-(4-methylphenyl)sulfonylbutanedihydrazide
CID 5153632

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide?
The IUPAC name of 4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide (CID 170607681) is 4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide?
The canonical SMILES for 4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)c2c(F)cc(Cl)cc2F)cc1.
What is the InChIKey of 4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide?
The InChIKey is MOBWKXQQDSZLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O3S/c1-8-2-4-10(5-3-8)23(21,22)19-18-14(20)13-11(16)6-9(15)7-12(13)17/h2-7,19H,1H3,(H,18,20).
What are the key properties of 4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide?
4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide has a molecular weight of 360.77 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 170607681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).