4-hydrazinyl-2,6-dimethyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide

C13H20N4O3S — CID 107327973

IUPAC4-hydrazinyl-2,6-dimethyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)NC1CCCNC1=O
InChIInChI=1S/C13H20N4O3S/c1-8-6-10(16-14)7-9(2)12(8)21(19,20)17-11-4-3-5-15-13(11)18/h6-7,11,16-17H,3-5,14H2,1-2H3,(H,15,18)
InChIKeyRWXDAMHOLCBGBU-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.15
Rot. Bonds4

About 4-hydrazinyl-2,6-dimethyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide

4-hydrazinyl-2,6-dimethyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 107327973) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-hydrazinyl-2,6-dimethyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-2,6-dimethyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID107327973
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name4-hydrazinyl-2,6-dimethyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)NC1CCCNC1=O
InChIInChI=1S/C13H20N4O3S/c1-8-6-10(16-14)7-9(2)12(8)21(19,20)17-11-4-3-5-15-13(11)18/h6-7,11,16-17H,3-5,14H2,1-2H3,(H,15,18)
InChIKeyRWXDAMHOLCBGBU-UHFFFAOYSA-N
XLogP0.15
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
CID 107327980
3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62092532
4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49149515
3-amino-5-fluoro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 116791797
2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457104
N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457209
4-hydrazinyl-2,6-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 107327849
5-fluoro-2-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 6976095
2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid
CID 62093627
4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide
CID 79569385
3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457165
N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide
CID 94061079

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-2,6-dimethyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-hydrazinyl-2,6-dimethyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide (CID 107327973) is 4-hydrazinyl-2,6-dimethyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-2,6-dimethyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-2,6-dimethyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide is Cc1cc(NN)cc(C)c1S(=O)(=O)NC1CCCNC1=O.
What is the InChIKey of 4-hydrazinyl-2,6-dimethyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is RWXDAMHOLCBGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-8-6-10(16-14)7-9(2)12(8)21(19,20)17-11-4-3-5-15-13(11)18/h6-7,11,16-17H,3-5,14H2,1-2H3,(H,15,18).
What are the key properties of 4-hydrazinyl-2,6-dimethyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
4-hydrazinyl-2,6-dimethyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-2,6-dimethyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 107327973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).