N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide

C16H19N3O3S — CID 91671619

IUPACN-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccc(CN(c2ccc(C(=O)NN)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H19N3O3S/c1-12-3-5-13(6-4-12)11-19(23(2,21)22)15-9-7-14(8-10-15)16(20)18-17/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyHQSGQIBAQGSJNP-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.56
Rot. Bonds5

About N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide

N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide (PubChem CID 91671619) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
PubChem CID91671619
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccc(CN(c2ccc(C(=O)NN)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H19N3O3S/c1-12-3-5-13(6-4-12)11-19(23(2,21)22)15-9-7-14(8-10-15)16(20)18-17/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyHQSGQIBAQGSJNP-UHFFFAOYSA-N
XLogP1.56
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(4-methylphenyl)ethylideneamino]-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126031320
N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23912821
N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1320912
N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1326540
N-(cyclododecylideneamino)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126034660
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126032247
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1290601
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide
CID 1298506
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23761147
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide
CID 982641
ethyl 2-chloro-5-[[4-[(4-methylphenyl)methyl-methylsulfonylamino]benzoyl]amino]benzoate
CID 92681248
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 43879524

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide?
The IUPAC name of N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide (CID 91671619) is N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide is Cc1ccc(CN(c2ccc(C(=O)NN)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide?
The InChIKey is HQSGQIBAQGSJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-3-5-13(6-4-12)11-19(23(2,21)22)15-9-7-14(8-10-15)16(20)18-17/h3-10H,11,17H2,1-2H3,(H,18,20).
What are the key properties of N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide?
N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 91671619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).