N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide

C14H13ClN2O3S — CID 732337

IUPACN'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O3S/c1-10-3-2-4-11(9-10)14(18)16-17-21(19,20)13-7-5-12(15)6-8-13/h2-9,17H,1H3,(H,16,18)
InChIKeyUANDWRMQCHVDFY-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.27
Rot. Bonds4

About N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide

N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide (PubChem CID 732337) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide
PubChem CID732337
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC NameN'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O3S/c1-10-3-2-4-11(9-10)14(18)16-17-21(19,20)13-7-5-12(15)6-8-13/h2-9,17H,1H3,(H,16,18)
InChIKeyUANDWRMQCHVDFY-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

3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 19167027
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide
CID 8616616
N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide
CID 965991
N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide
CID 8500457
N'-[2-(4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 732324
3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide
CID 8616663
N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616766
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 170607681
3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 8616640

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide (CID 732337) is N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide is Cc1cccc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide?
The InChIKey is UANDWRMQCHVDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-10-3-2-4-11(9-10)14(18)16-17-21(19,20)13-7-5-12(15)6-8-13/h2-9,17H,1H3,(H,16,18).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide?
N'-(4-chlorophenyl)sulfonyl-3-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-3-methylbenzohydrazide is sourced from PubChem (CID 732337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).