N'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide

C15H22ClN3O3S — CID 45353186

IUPACN'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NNc1ccc(C)c(Cl)c1
InChIInChI=1S/C15H22ClN3O3S/c1-3-9-23(21,22)19-8-4-5-14(19)15(20)18-17-12-7-6-11(2)13(16)10-12/h6-7,10,14,17H,3-5,8-9H2,1-2H3,(H,18,20)
InChIKeySRZVASKUADEKST-UHFFFAOYSA-N
MW359.88 g/mol
LogP2.30
Rot. Bonds6

About N'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide

N'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide (PubChem CID 45353186) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide
PubChem CID45353186
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC NameN'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NNc1ccc(C)c(Cl)c1
InChIInChI=1S/C15H22ClN3O3S/c1-3-9-23(21,22)19-8-4-5-14(19)15(20)18-17-12-7-6-11(2)13(16)10-12/h6-7,10,14,17H,3-5,8-9H2,1-2H3,(H,18,20)
InChIKeySRZVASKUADEKST-UHFFFAOYSA-N
XLogP2.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 52.30
H-Bond Donors ≤ 52
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-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51941069
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240584
N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55453705
N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240453
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 60607475
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-1-propylsulfonylpiperidine-2-carbohydrazide
CID 55997742
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119383139
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241414
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55965272

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide (CID 45353186) is N'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide is CCCS(=O)(=O)N1CCCC1C(=O)NNc1ccc(C)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide?
The InChIKey is SRZVASKUADEKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-3-9-23(21,22)19-8-4-5-14(19)15(20)18-17-12-7-6-11(2)13(16)10-12/h6-7,10,14,17H,3-5,8-9H2,1-2H3,(H,18,20).
What are the key properties of N'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide?
N'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide has a molecular weight of 359.88 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide is sourced from PubChem (CID 45353186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).