N-cyclopropyl-4-[2-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]hydrazinyl]benzenesulfonamide

C20H30N4O4S — CID 56502621

IUPACN-cyclopropyl-4-[2-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]hydrazinyl]benzenesulfonamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C20H30N4O4S/c1-20(2,3)19(26)24-12-10-14(11-13-24)18(25)22-21-15-6-8-17(9-7-15)29(27,28)23-16-4-5-16/h6-9,14,16,21,23H,4-5,10-13H2,1-3H3,(H,22,25)
InChIKeyPODJZMBOALULLZ-UHFFFAOYSA-N
MW422.55 g/mol
LogP1.86
Rot. Bonds6

About N-cyclopropyl-4-[2-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]hydrazinyl]benzenesulfonamide

N-cyclopropyl-4-[2-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]hydrazinyl]benzenesulfonamide (PubChem CID 56502621) has the molecular formula C20H30N4O4S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]hydrazinyl]benzenesulfonamide
PubChem CID56502621
Molecular FormulaC20H30N4O4S
Molecular Weight422.55 g/mol
Exact Mass422.20
IUPAC NameN-cyclopropyl-4-[2-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]hydrazinyl]benzenesulfonamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C20H30N4O4S/c1-20(2,3)19(26)24-12-10-14(11-13-24)18(25)22-21-15-6-8-17(9-7-15)29(27,28)23-16-4-5-16/h6-9,14,16,21,23H,4-5,10-13H2,1-3H3,(H,22,25)
InChIKeyPODJZMBOALULLZ-UHFFFAOYSA-N
XLogP1.86
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 51.86
H-Bond Donors ≤ 53
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-[4-(tert-butylsulfamoyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224431
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224456
tert-butyl 4-[(4-methoxycarbonylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 53256088
tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate
CID 53256090
tert-butyl 4-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]piperidine-1-carboxylate
CID 169372481
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 17224394
1-(2,2-dimethylpropanoyl)-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide
CID 18140177
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[4-(dimethylamino)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 113008056
1-[4-[(4-hydroxyphenyl)sulfonylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 156684459
N-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide
CID 24811032

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]hydrazinyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[2-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]hydrazinyl]benzenesulfonamide (CID 56502621) is N-cyclopropyl-4-[2-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[2-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]hydrazinyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[2-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]hydrazinyl]benzenesulfonamide is CC(C)(C)C(=O)N1CCC(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CC1.
What is the InChIKey of N-cyclopropyl-4-[2-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]hydrazinyl]benzenesulfonamide?
The InChIKey is PODJZMBOALULLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4S/c1-20(2,3)19(26)24-12-10-14(11-13-24)18(25)22-21-15-6-8-17(9-7-15)29(27,28)23-16-4-5-16/h6-9,14,16,21,23H,4-5,10-13H2,1-3H3,(H,22,25).
What are the key properties of N-cyclopropyl-4-[2-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]hydrazinyl]benzenesulfonamide?
N-cyclopropyl-4-[2-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]hydrazinyl]benzenesulfonamide has a molecular weight of 422.55 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 56502621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).