4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide

C15H19N3O2S — CID 107327779

IUPAC4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-11-9-13(17-16)10-12(2)15(11)21(19,20)18(3)14-7-5-4-6-8-14/h4-10,17H,16H2,1-3H3
InChIKeyQRJDXKGBZYYJQZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.41
Rot. Bonds4

About 4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide

4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide (PubChem CID 107327779) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide
PubChem CID107327779
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-11-9-13(17-16)10-12(2)15(11)21(19,20)18(3)14-7-5-4-6-8-14/h4-10,17H,16H2,1-3H3
InChIKeyQRJDXKGBZYYJQZ-UHFFFAOYSA-N
XLogP2.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
CID 107328167
4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide
CID 107327994
N-(3,5-dimethylphenyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 62002863
N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 107327941
3,4-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 26980942
methyl 2-methyl-5-[methyl(phenyl)sulfamoyl]benzoate
CID 95970846
5-(hydrazinecarbonyl)-N-methyl-N-phenyl-1H-pyrrole-3-sulfonamide
CID 16779931
5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide
CID 114363791
6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide
CID 56805912
N,4-dimethyl-3-nitro-N-phenylbenzenesulfonamide
CID 3323652
4-hydrazinyl-2,6-dimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 107327748
ethyl 3-[4-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097503

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide (CID 107327779) is 4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide is Cc1cc(NN)cc(C)c1S(=O)(=O)N(C)c1ccccc1.
What is the InChIKey of 4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide?
The InChIKey is QRJDXKGBZYYJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-9-13(17-16)10-12(2)15(11)21(19,20)18(3)14-7-5-4-6-8-14/h4-10,17H,16H2,1-3H3.
What are the key properties of 4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide?
4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 107327779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).