N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide

C15H15ClN4O2S — CID 11245057

IUPACN-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CN=[N+]=[N-])c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN4O2S/c1-11-2-8-14(9-3-11)23(21,22)19-15(10-18-20-17)12-4-6-13(16)7-5-12/h2-9,15,19H,10H2,1H3
InChIKeyXGJUKRMWBUFFCH-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.98
Rot. Bonds6

About N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide

N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 11245057) has the molecular formula C15H15ClN4O2S and a molecular weight of 350.83 g/mol. Its IUPAC name is N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID11245057
Molecular FormulaC15H15ClN4O2S
Molecular Weight350.83 g/mol
Exact Mass350.06
IUPAC NameN-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CN=[N+]=[N-])c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN4O2S/c1-11-2-8-14(9-3-11)23(21,22)19-15(10-18-20-17)12-4-6-13(16)7-5-12/h2-9,15,19H,10H2,1H3
InChIKeyXGJUKRMWBUFFCH-UHFFFAOYSA-N
XLogP3.98
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.98
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

4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide
CID 25019219
N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 102575603
N-[(1S,2S)-1-(4-chlorophenyl)-2-methylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11382505
N-[(4-chlorophenyl)-(4-methylphenyl)sulfonylmethyl]-4-methylbenzenesulfonamide
CID 16743563
methyl 3-(4-chlorophenyl)-2-diazo-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 72821314
1-(1-azidopropan-2-yl)-4-chlorobenzene
CID 90211793
4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide
CID 102380276
4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide
CID 66978869
N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 51356051
ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate
CID 24777338
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652

Frequently Asked Questions

What is the IUPAC name of N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide (CID 11245057) is N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CN=[N+]=[N-])c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is XGJUKRMWBUFFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2S/c1-11-2-8-14(9-3-11)23(21,22)19-15(10-18-20-17)12-4-6-13(16)7-5-12/h2-9,15,19H,10H2,1H3.
What are the key properties of N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide?
N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 350.83 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11245057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).