N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide

C16H15ClN2O4S — CID 9442397

IUPACN'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide
SMILESCS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O4S/c1-24(22,23)10-11-2-4-12(5-3-11)15(20)18-19-16(21)13-6-8-14(17)9-7-13/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyXJJGRXDTNOIPNL-UHFFFAOYSA-N
MW366.83 g/mol
LogP1.96
Rot. Bonds4

About N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide

N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide (PubChem CID 9442397) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide
PubChem CID9442397
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC NameN'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide
SMILESCS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O4S/c1-24(22,23)10-11-2-4-12(5-3-11)15(20)18-19-16(21)13-6-8-14(17)9-7-13/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyXJJGRXDTNOIPNL-UHFFFAOYSA-N
XLogP1.96
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 18779913
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 8751478
(4-chlorophenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7753128
N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide
CID 9155961
N'-(4-chlorobenzoyl)-4-propylbenzohydrazide
CID 765467
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 31987355
N-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide
CID 56805495
4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 27648016
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26250465
2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide
CID 9468106
N'-acetyl-4-chlorobenzohydrazide
CID 799230
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide (CID 9442397) is N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide is CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide?
The InChIKey is XJJGRXDTNOIPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c1-24(22,23)10-11-2-4-12(5-3-11)15(20)18-19-16(21)13-6-8-14(17)9-7-13/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide?
N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide has a molecular weight of 366.83 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide is sourced from PubChem (CID 9442397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).