3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide

C15H15ClN2O5S — CID 8616663

IUPAC3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C15H15ClN2O5S/c1-22-13-7-6-12(9-14(13)23-2)24(20,21)18-17-15(19)10-4-3-5-11(16)8-10/h3-9,18H,1-2H3,(H,17,19)
InChIKeySNDOXUNRLFFAMF-UHFFFAOYSA-N
MW370.81 g/mol
LogP1.98
Rot. Bonds6

About 3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide

3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide (PubChem CID 8616663) has the molecular formula C15H15ClN2O5S and a molecular weight of 370.81 g/mol. Its IUPAC name is 3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide
PubChem CID8616663
Molecular FormulaC15H15ClN2O5S
Molecular Weight370.81 g/mol
Exact Mass370.04
IUPAC Name3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C15H15ClN2O5S/c1-22-13-7-6-12(9-14(13)23-2)24(20,21)18-17-15(19)10-4-3-5-11(16)8-10/h3-9,18H,1-2H3,(H,17,19)
InChIKeySNDOXUNRLFFAMF-UHFFFAOYSA-N
XLogP1.98
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide
CID 110357946
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 90786253
3-chloro-N-[2-methoxy-5-(phenylsulfamoyl)phenyl]benzamide
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N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide
CID 8523714
3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
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N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide
CID 8616616
N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide
CID 732337
N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide
CID 4983601
N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide
CID 75401968
[(3,4-dimethoxyphenyl)sulfonylamino]thiourea
CID 65214843
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
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3-chloro-N'-(2,5-dichlorophenyl)sulfonylbenzohydrazide
CID 8616581

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide?
The IUPAC name of 3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide (CID 8616663) is 3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide?
The canonical SMILES for 3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide is COc1ccc(S(=O)(=O)NNC(=O)c2cccc(Cl)c2)cc1OC.
What is the InChIKey of 3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide?
The InChIKey is SNDOXUNRLFFAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O5S/c1-22-13-7-6-12(9-14(13)23-2)24(20,21)18-17-15(19)10-4-3-5-11(16)8-10/h3-9,18H,1-2H3,(H,17,19).
What are the key properties of 3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide?
3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide has a molecular weight of 370.81 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 8616663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).