4-azido-N-(4-methylphenyl)benzenesulfonamide

C13H12N4O2S — CID 150364782

IUPAC4-azido-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N=[N+]=[N-])cc2)cc1
InChIInChI=1S/C13H12N4O2S/c1-10-2-4-12(5-3-10)16-20(18,19)13-8-6-11(7-9-13)15-17-14/h2-9,16H,1H3
InChIKeyGWLWMHOGXTXLTD-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.74
Rot. Bonds4

About 4-azido-N-(4-methylphenyl)benzenesulfonamide

4-azido-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 150364782) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-azido-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-azido-N-(4-methylphenyl)benzenesulfonamide
PubChem CID150364782
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name4-azido-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N=[N+]=[N-])cc2)cc1
InChIInChI=1S/C13H12N4O2S/c1-10-2-4-12(5-3-10)16-20(18,19)13-8-6-11(7-9-13)15-17-14/h2-9,16H,1H3
InChIKeyGWLWMHOGXTXLTD-UHFFFAOYSA-N
XLogP3.74
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-[4-[(4-methylphenyl)sulfonylamino]phenyl]imino-4-oxidobut-2-enoate
CID 4748967
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 65481186
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1-nitroguanidine
CID 3761015
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
CID 86078083
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 22772989
4-[(4-methylphenyl)sulfonylamino]benzenecarboximidate
CID 4744543
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-azido-N-(4-methylphenyl)benzenesulfonamide (CID 150364782) is 4-azido-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-azido-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-azido-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(N=[N+]=[N-])cc2)cc1.
What is the InChIKey of 4-azido-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is GWLWMHOGXTXLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-10-2-4-12(5-3-10)16-20(18,19)13-8-6-11(7-9-13)15-17-14/h2-9,16H,1H3.
What are the key properties of 4-azido-N-(4-methylphenyl)benzenesulfonamide?
4-azido-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 150364782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).