3-(2-dodecan-2-ylhydrazinyl)-N-methylbenzenesulfonamide

C19H35N3O2S — CID 57192896

IUPAC3-(2-dodecan-2-ylhydrazinyl)-N-methylbenzenesulfonamide
SMILESCCCCCCCCCCC(C)NNc1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C19H35N3O2S/c1-4-5-6-7-8-9-10-11-13-17(2)21-22-18-14-12-15-19(16-18)25(23,24)20-3/h12,14-17,20-22H,4-11,13H2,1-3H3
InChIKeyQEMNOLOPIGEUBB-UHFFFAOYSA-N
MW369.58 g/mol
LogP4.43
Rot. Bonds14

About 3-(2-dodecan-2-ylhydrazinyl)-N-methylbenzenesulfonamide

3-(2-dodecan-2-ylhydrazinyl)-N-methylbenzenesulfonamide (PubChem CID 57192896) has the molecular formula C19H35N3O2S and a molecular weight of 369.58 g/mol. Its IUPAC name is 3-(2-dodecan-2-ylhydrazinyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2-dodecan-2-ylhydrazinyl)-N-methylbenzenesulfonamide
PubChem CID57192896
Molecular FormulaC19H35N3O2S
Molecular Weight369.58 g/mol
Exact Mass369.24
IUPAC Name3-(2-dodecan-2-ylhydrazinyl)-N-methylbenzenesulfonamide
SMILESCCCCCCCCCCC(C)NNc1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C19H35N3O2S/c1-4-5-6-7-8-9-10-11-13-17(2)21-22-18-14-12-15-19(16-18)25(23,24)20-3/h12,14-17,20-22H,4-11,13H2,1-3H3
InChIKeyQEMNOLOPIGEUBB-UHFFFAOYSA-N
XLogP4.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide
CID 62704990
2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide
CID 60854034
N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43688554
N-methyl-3-(2-methylpropylamino)benzenesulfonamide
CID 43688509
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
4-(hexan-2-ylamino)-N-methylbenzenesulfonamide
CID 43790312
N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide
CID 61466426
3-hexan-3-yl-N-methylbenzenesulfonamide
CID 139318427
N-methyl-2-(octan-2-ylamino)benzenesulfonamide
CID 43749903
2-[3-(methylsulfamoyl)anilino]butanoic acid
CID 113292402
3-(heptan-2-ylsulfamoyl)benzoic acid
CID 43398472
3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 43784811

Frequently Asked Questions

What is the IUPAC name of 3-(2-dodecan-2-ylhydrazinyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-(2-dodecan-2-ylhydrazinyl)-N-methylbenzenesulfonamide (CID 57192896) is 3-(2-dodecan-2-ylhydrazinyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(2-dodecan-2-ylhydrazinyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(2-dodecan-2-ylhydrazinyl)-N-methylbenzenesulfonamide is CCCCCCCCCCC(C)NNc1cccc(S(=O)(=O)NC)c1.
What is the InChIKey of 3-(2-dodecan-2-ylhydrazinyl)-N-methylbenzenesulfonamide?
The InChIKey is QEMNOLOPIGEUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2S/c1-4-5-6-7-8-9-10-11-13-17(2)21-22-18-14-12-15-19(16-18)25(23,24)20-3/h12,14-17,20-22H,4-11,13H2,1-3H3.
What are the key properties of 3-(2-dodecan-2-ylhydrazinyl)-N-methylbenzenesulfonamide?
3-(2-dodecan-2-ylhydrazinyl)-N-methylbenzenesulfonamide has a molecular weight of 369.58 g/mol, XLogP of 4.43, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-dodecan-2-ylhydrazinyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 57192896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).