N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide

C20H25N3O3S — CID 9479993

IUPACN'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide
SMILESC[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NN(C)c2ccccc2)c1
InChIInChI=1S/C20H25N3O3S/c1-16-9-6-7-14-23(16)27(25,26)19-13-8-10-17(15-19)20(24)21-22(2)18-11-4-3-5-12-18/h3-5,8,10-13,15-16H,6-7,9,14H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyBHMBVNUZSFOSCT-INIZCTEOSA-N
MW387.51 g/mol
LogP3.03
Rot. Bonds5

About N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide

N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide (PubChem CID 9479993) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide
PubChem CID9479993
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide
SMILESC[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NN(C)c2ccccc2)c1
InChIInChI=1S/C20H25N3O3S/c1-16-9-6-7-14-23(16)27(25,26)19-13-8-10-17(15-19)20(24)21-22(2)18-11-4-3-5-12-18/h3-5,8,10-13,15-16H,6-7,9,14H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyBHMBVNUZSFOSCT-INIZCTEOSA-N
XLogP3.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.03
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

N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9411283
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide
CID 9227506
N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 78767659
N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 9479543
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
(2R)-1-[3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]piperidine-2-carboxylic acid
CID 40809123
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 16575285
N-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 51161111
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55383504

Frequently Asked Questions

What is the IUPAC name of N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide?
The IUPAC name of N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide (CID 9479993) is N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide.
What is the SMILES notation for N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide?
The canonical SMILES for N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide is C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NN(C)c2ccccc2)c1.
What is the InChIKey of N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide?
The InChIKey is BHMBVNUZSFOSCT-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16-9-6-7-14-23(16)27(25,26)19-13-8-10-17(15-19)20(24)21-22(2)18-11-4-3-5-12-18/h3-5,8,10-13,15-16H,6-7,9,14H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide?
N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide has a molecular weight of 387.51 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide is sourced from PubChem (CID 9479993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).