N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide

C10H12BrClN4O2S — CID 106387039

IUPACN-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide
SMILES[N-]=[N+]=NCCCCNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H12BrClN4O2S/c11-8-3-4-10(9(12)7-8)19(17,18)15-6-2-1-5-14-16-13/h3-4,7,15H,1-2,5-6H2
InChIKeyMTEOVTGWOVDGCH-UHFFFAOYSA-N
MW367.66 g/mol
LogP3.47
Rot. Bonds7

About N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide

N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide (PubChem CID 106387039) has the molecular formula C10H12BrClN4O2S and a molecular weight of 367.66 g/mol. Its IUPAC name is N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide
PubChem CID106387039
Molecular FormulaC10H12BrClN4O2S
Molecular Weight367.66 g/mol
Exact Mass365.96
IUPAC NameN-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide
SMILES[N-]=[N+]=NCCCCNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H12BrClN4O2S/c11-8-3-4-10(9(12)7-8)19(17,18)15-6-2-1-5-14-16-13/h3-4,7,15H,1-2,5-6H2
InChIKeyMTEOVTGWOVDGCH-UHFFFAOYSA-N
XLogP3.47
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.66
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133710
N-(3-azidopropyl)-2-chloro-4-nitrobenzenesulfonamide
CID 61345066
4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
CID 61073372
4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 113238999
4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide
CID 60640063
3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide
CID 61061030
4-bromo-2-chloro-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide
CID 8025065
N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide
CID 61343464
N-(3-azidopropyl)-4-chlorobenzenesulfonamide
CID 61342719
4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79089778
N-(3-azidopropyl)-4-bromo-2-chlorobenzamide
CID 61344725
N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 61343636

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide?
The IUPAC name of N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide (CID 106387039) is N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide is [N-]=[N+]=NCCCCNS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide?
The InChIKey is MTEOVTGWOVDGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN4O2S/c11-8-3-4-10(9(12)7-8)19(17,18)15-6-2-1-5-14-16-13/h3-4,7,15H,1-2,5-6H2.
What are the key properties of N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide?
N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide has a molecular weight of 367.66 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide is sourced from PubChem (CID 106387039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).