3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide

C18H17Cl2N3O5S — CID 26654250

IUPAC3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H17Cl2N3O5S/c19-14-8-13(9-15(20)11-14)18(25)22-21-17(24)12-2-1-3-16(10-12)29(26,27)23-4-6-28-7-5-23/h1-3,8-11H,4-7H2,(H,21,24)(H,22,25)
InChIKeyMSASXURIECSKSA-UHFFFAOYSA-N
MW458.32 g/mol
LogP2.09
Rot. Bonds4

About 3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide

3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide (PubChem CID 26654250) has the molecular formula C18H17Cl2N3O5S and a molecular weight of 458.32 g/mol. Its IUPAC name is 3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
PubChem CID26654250
Molecular FormulaC18H17Cl2N3O5S
Molecular Weight458.32 g/mol
Exact Mass457.03
IUPAC Name3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H17Cl2N3O5S/c19-14-8-13(9-15(20)11-14)18(25)22-21-17(24)12-2-1-3-16(10-12)29(26,27)23-4-6-28-7-5-23/h1-3,8-11H,4-7H2,(H,21,24)(H,22,25)
InChIKeyMSASXURIECSKSA-UHFFFAOYSA-N
XLogP2.09
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.32
LogP ≤ 52.09
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

3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329
N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 2578698
N'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
CID 42996196
3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 2078880
3-chloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)-1-benzothiophene-2-carbohydrazide
CID 2578784
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
5-chloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 24513762

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The IUPAC name of 3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide (CID 26654250) is 3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide.
What is the SMILES notation for 3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The canonical SMILES for 3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide is O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The InChIKey is MSASXURIECSKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O5S/c19-14-8-13(9-15(20)11-14)18(25)22-21-17(24)12-2-1-3-16(10-12)29(26,27)23-4-6-28-7-5-23/h1-3,8-11H,4-7H2,(H,21,24)(H,22,25).
What are the key properties of 3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide has a molecular weight of 458.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide is sourced from PubChem (CID 26654250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).