3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide

C17H19N3O4S — CID 17016191

IUPAC3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
SMILESO=C(NNc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H19N3O4S/c21-17(19-18-15-6-2-1-3-7-15)14-5-4-8-16(13-14)25(22,23)20-9-11-24-12-10-20/h1-8,13,18H,9-12H2,(H,19,21)
InChIKeyPXZKWYKQDWHJKV-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.46
Rot. Bonds5

About 3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide

3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide (PubChem CID 17016191) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
PubChem CID17016191
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
SMILESO=C(NNc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H19N3O4S/c21-17(19-18-15-6-2-1-3-7-15)14-5-4-8-16(13-14)25(22,23)20-9-11-24-12-10-20/h1-8,13,18H,9-12H2,(H,19,21)
InChIKeyPXZKWYKQDWHJKV-UHFFFAOYSA-N
XLogP1.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.46
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

1-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 24583542
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 26654250
N'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2588973
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
N'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
CID 42996196
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 9479543
N-[(2S)-1-(2-benzoylhydrazinyl)-3-methyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 35513041
N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 5217633
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 17016205

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide (CID 17016191) is 3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide is O=C(NNc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide?
The InChIKey is PXZKWYKQDWHJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-17(19-18-15-6-2-1-3-7-15)14-5-4-8-16(13-14)25(22,23)20-9-11-24-12-10-20/h1-8,13,18H,9-12H2,(H,19,21).
What are the key properties of 3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide?
3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide has a molecular weight of 361.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide is sourced from PubChem (CID 17016191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).