N'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide

C18H21N3O3S — CID 9479606

IUPACN'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESCN(NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C18H21N3O3S/c1-20(16-7-3-2-4-8-16)19-18(22)15-9-11-17(12-10-15)25(23,24)21-13-5-6-14-21/h2-4,7-12H,5-6,13-14H2,1H3,(H,19,22)
InChIKeySTOAZTKGZWVWFD-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.25
Rot. Bonds5

About N'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide

N'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide (PubChem CID 9479606) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide
PubChem CID9479606
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESCN(NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C18H21N3O3S/c1-20(16-7-3-2-4-8-16)19-18(22)15-9-11-17(12-10-15)25(23,24)21-13-5-6-14-21/h2-4,7-12H,5-6,13-14H2,1H3,(H,19,22)
InChIKeySTOAZTKGZWVWFD-UHFFFAOYSA-N
XLogP2.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide
CID 9163758
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N'-methyl-N'-phenylprop-2-enehydrazide
CID 9479737
4-[methyl(phenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849780
N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 9479543
4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1296255
4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide
CID 1428605
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8794925
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
(2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 7059174

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide (CID 9479606) is N'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide is CN(NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1.
What is the InChIKey of N'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide?
The InChIKey is STOAZTKGZWVWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-20(16-7-3-2-4-8-16)19-18(22)15-9-11-17(12-10-15)25(23,24)21-13-5-6-14-21/h2-4,7-12H,5-6,13-14H2,1H3,(H,19,22).
What are the key properties of N'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide?
N'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide has a molecular weight of 359.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 9479606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).