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

C18H21N3O4S — CID 9479543

IUPACN'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
SMILESCN(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C18H21N3O4S/c1-20(16-7-3-2-4-8-16)19-18(22)15-6-5-9-17(14-15)26(23,24)21-10-12-25-13-11-21/h2-9,14H,10-13H2,1H3,(H,19,22)
InChIKeyNUGQIDHUXGJDRL-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.49
Rot. Bonds5

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

N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide (PubChem CID 9479543) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
PubChem CID9479543
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
SMILESCN(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C18H21N3O4S/c1-20(16-7-3-2-4-8-16)19-18(22)15-6-5-9-17(14-15)26(23,24)21-10-12-25-13-11-21/h2-9,14H,10-13H2,1H3,(H,19,22)
InChIKeyNUGQIDHUXGJDRL-UHFFFAOYSA-N
XLogP1.49
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849
3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 8936210
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide
CID 9479993
N'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 9479606
3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide
CID 4611586
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2665791
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 5217633

Frequently Asked Questions

What is the IUPAC name of N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide?
The IUPAC name of N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide (CID 9479543) is N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide.
What is the SMILES notation for N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide?
The canonical SMILES for N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide is CN(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1.
What is the InChIKey of N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide?
The InChIKey is NUGQIDHUXGJDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-20(16-7-3-2-4-8-16)19-18(22)15-6-5-9-17(14-15)26(23,24)21-10-12-25-13-11-21/h2-9,14H,10-13H2,1H3,(H,19,22).
What are the key properties of N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide?
N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide has a molecular weight of 375.45 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide is sourced from PubChem (CID 9479543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).